Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:54:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./N2O.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 83 48 13 3451 1514 230 Max 84 49 15 3456 1537 236 Sum 2997 1749 505 124289 54963 8409 bravais-lattice index = 14 lattice parameter (alat) = 10.8092 a.u. unit-cell volume = 1262.9455 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.809233 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) 48 Sym. Ops., with inversion, found (36 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) f =( 0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) f =( -0.5000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) f =( 0.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) f =( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 216 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 -0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 -0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 -0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 -0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 -0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 -0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 -0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 -0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 -0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 -0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 -0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 -0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 -0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 -0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 -0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 -0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 -0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 -0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 -0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 -0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 -0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 -0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512820), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 2) = ( 0.0000000 0.0178571 0.0000000), wk = 0.0046296 k( 3) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0046296 k( 4) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0046296 k( 5) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0046296 k( 6) = ( 0.0000000 0.0892857 0.0000000), wk = 0.0046296 k( 7) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0046296 k( 8) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0046296 k( 9) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0046296 k( 10) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0046296 k( 11) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0046296 k( 12) = ( 0.0000000 0.1964286 0.0000000), wk = 0.0046296 k( 13) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0046296 k( 14) = ( 0.0000000 0.2321429 0.0000000), wk = 0.0046296 k( 15) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0046296 k( 16) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0046296 k( 17) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0046296 k( 18) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0046296 k( 19) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0046296 k( 20) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0046296 k( 21) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0046296 k( 22) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0046296 k( 23) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0046296 k( 24) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0046296 k( 25) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0046296 k( 26) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0046296 k( 27) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0046296 k( 28) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0046296 k( 29) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 30) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 31) = ( 0.0178571 0.5000000 0.0000000), wk = 0.0046296 k( 32) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0046296 k( 33) = ( 0.0535714 0.5000000 0.0000000), wk = 0.0046296 k( 34) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0046296 k( 35) = ( 0.0892857 0.5000000 0.0000000), wk = 0.0046296 k( 36) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0046296 k( 37) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0046296 k( 38) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0046296 k( 39) = ( 0.1607143 0.5000000 0.0000000), wk = 0.0046296 k( 40) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0046296 k( 41) = ( 0.1964286 0.5000000 0.0000000), wk = 0.0046296 k( 42) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0046296 k( 43) = ( 0.2321429 0.5000000 0.0000000), wk = 0.0046296 k( 44) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0046296 k( 45) = ( 0.2678571 0.5000000 0.0000000), wk = 0.0046296 k( 46) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0046296 k( 47) = ( 0.3035714 0.5000000 0.0000000), wk = 0.0046296 k( 48) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0046296 k( 49) = ( 0.3392857 0.5000000 0.0000000), wk = 0.0046296 k( 50) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0046296 k( 51) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0046296 k( 52) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0046296 k( 53) = ( 0.4107143 0.5000000 0.0000000), wk = 0.0046296 k( 54) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0046296 k( 55) = ( 0.4464286 0.5000000 -0.0000000), wk = 0.0046296 k( 56) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0046296 k( 57) = ( 0.4821429 0.5000000 0.0000000), wk = 0.0046296 k( 58) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 59) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 60) = ( 0.4871795 0.4871795 0.0000000), wk = 0.0046296 k( 61) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0046296 k( 62) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0046296 k( 63) = ( 0.4487179 0.4487179 0.0000000), wk = 0.0046296 k( 64) = ( 0.4358974 0.4358974 0.0000000), wk = 0.0046296 k( 65) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0046296 k( 66) = ( 0.4102564 0.4102564 0.0000000), wk = 0.0046296 k( 67) = ( 0.3974359 0.3974359 0.0000000), wk = 0.0046296 k( 68) = ( 0.3846154 0.3846154 0.0000000), wk = 0.0046296 k( 69) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0046296 k( 70) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0046296 k( 71) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0046296 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0046296 k( 73) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0046296 k( 74) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0046296 k( 75) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0046296 k( 76) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0046296 k( 77) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0046296 k( 78) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0046296 k( 79) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0046296 k( 80) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0046296 k( 81) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0046296 k( 82) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0046296 k( 83) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0046296 k( 84) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0046296 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0046296 k( 86) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0046296 k( 87) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0046296 k( 88) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0046296 k( 89) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0046296 k( 90) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0046296 k( 91) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0046296 k( 92) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0046296 k( 93) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0046296 k( 94) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0046296 k( 95) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0046296 k( 96) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0046296 k( 97) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0046296 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046296 k( 100) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0046296 k( 101) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0046296 k( 102) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0046296 k( 103) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0046296 k( 104) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0046296 k( 105) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0046296 k( 106) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0046296 k( 107) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0046296 k( 108) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0046296 k( 109) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0046296 k( 110) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0046296 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0046296 k( 112) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0046296 k( 113) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0046296 k( 114) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0046296 k( 115) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0046296 k( 116) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0046296 k( 117) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0046296 k( 118) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0046296 k( 119) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0046296 k( 120) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0046296 k( 121) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0046296 k( 122) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0046296 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0046296 k( 124) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0046296 k( 125) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0046296 k( 126) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0046296 k( 127) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0046296 k( 128) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0046296 k( 129) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0046296 k( 130) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0046296 k( 131) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0046296 k( 132) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0046296 k( 133) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0046296 k( 134) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0046296 k( 135) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0046296 k( 136) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0046296 k( 137) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0046296 k( 138) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0046296 k( 139) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0046296 k( 140) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0046296 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0046296 k( 142) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0046296 k( 143) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0046296 k( 144) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0046296 k( 145) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0046296 k( 146) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0046296 k( 147) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 148) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 k( 149) = ( 0.4871795 0.5000000 0.4871795), wk = 0.0046296 k( 150) = ( 0.4743590 0.5000000 0.4743590), wk = 0.0046296 k( 151) = ( 0.4615385 0.5000000 0.4615385), wk = 0.0046296 k( 152) = ( 0.4487179 0.5000000 0.4487179), wk = 0.0046296 k( 153) = ( 0.4358974 0.5000000 0.4358974), wk = 0.0046296 k( 154) = ( 0.4230769 0.5000000 0.4230769), wk = 0.0046296 k( 155) = ( 0.4102564 0.5000000 0.4102564), wk = 0.0046296 k( 156) = ( 0.3974359 0.5000000 0.3974359), wk = 0.0046296 k( 157) = ( 0.3846154 0.5000000 0.3846154), wk = 0.0046296 k( 158) = ( 0.3717949 0.5000000 0.3717949), wk = 0.0046296 k( 159) = ( 0.3589744 0.5000000 0.3589744), wk = 0.0046296 k( 160) = ( 0.3461538 0.5000000 0.3461538), wk = 0.0046296 k( 161) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0046296 k( 162) = ( 0.3205128 0.5000000 0.3205128), wk = 0.0046296 k( 163) = ( 0.3076923 0.5000000 0.3076923), wk = 0.0046296 k( 164) = ( 0.2948718 0.5000000 0.2948718), wk = 0.0046296 k( 165) = ( 0.2820513 0.5000000 0.2820513), wk = 0.0046296 k( 166) = ( 0.2692308 0.5000000 0.2692308), wk = 0.0046296 k( 167) = ( 0.2564103 0.5000000 0.2564103), wk = 0.0046296 k( 168) = ( 0.2435897 0.5000000 0.2435897), wk = 0.0046296 k( 169) = ( 0.2307692 0.5000000 0.2307692), wk = 0.0046296 k( 170) = ( 0.2179487 0.5000000 0.2179487), wk = 0.0046296 k( 171) = ( 0.2051282 0.5000000 0.2051282), wk = 0.0046296 k( 172) = ( 0.1923077 0.5000000 0.1923077), wk = 0.0046296 k( 173) = ( 0.1794872 0.5000000 0.1794872), wk = 0.0046296 k( 174) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0046296 k( 175) = ( 0.1538461 0.5000000 0.1538461), wk = 0.0046296 k( 176) = ( 0.1410256 0.5000000 0.1410256), wk = 0.0046296 k( 177) = ( 0.1282051 0.5000000 0.1282051), wk = 0.0046296 k( 178) = ( 0.1153846 0.5000000 0.1153846), wk = 0.0046296 k( 179) = ( 0.1025641 0.5000000 0.1025641), wk = 0.0046296 k( 180) = ( 0.0897436 0.5000000 0.0897436), wk = 0.0046296 k( 181) = ( 0.0769231 0.5000000 0.0769231), wk = 0.0046296 k( 182) = ( 0.0641026 0.5000000 0.0641026), wk = 0.0046296 k( 183) = ( 0.0512821 0.5000000 0.0512821), wk = 0.0046296 k( 184) = ( 0.0384615 0.5000000 0.0384615), wk = 0.0046296 k( 185) = ( 0.0256410 0.5000000 0.0256410), wk = 0.0046296 k( 186) = ( 0.0128205 0.5000000 0.0128205), wk = 0.0046296 k( 187) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0046296 k( 188) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0046296 k( 189) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0046296 k( 190) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0046296 k( 191) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0046296 k( 192) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0046296 k( 193) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0046296 k( 194) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0046296 k( 195) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0046296 k( 196) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0046296 k( 197) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0046296 k( 198) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0046296 k( 199) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0046296 k( 200) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0046296 k( 201) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0046296 k( 202) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0046296 k( 203) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0046296 k( 204) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0046296 k( 205) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0046296 k( 206) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0046296 k( 207) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0046296 k( 208) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0046296 k( 209) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0046296 k( 210) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0046296 k( 211) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0046296 k( 212) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0046296 k( 213) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0046296 k( 214) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0046296 k( 215) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0046296 k( 216) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046296 Dense grid: 124289 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 54963 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.46 Mb ( 400, 76) NL pseudopotentials 0.51 Mb ( 200, 168) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.03 Mb ( 3453) G-vector shells 0.00 Mb ( 639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.86 Mb ( 400, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.39 Mb ( 168, 2, 76) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./N2O.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.5 secs Computing kpt #: 11 total cpu time spent up to now is 9.4 secs Computing kpt #: 12 total cpu time spent up to now is 10.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 14.5 secs Computing kpt #: 17 total cpu time spent up to now is 15.8 secs Computing kpt #: 18 total cpu time spent up to now is 17.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.5 secs Computing kpt #: 20 total cpu time spent up to now is 19.9 secs Computing kpt #: 21 total cpu time spent up to now is 21.7 secs Computing kpt #: 22 total cpu time spent up to now is 23.3 secs Computing kpt #: 23 total cpu time spent up to now is 25.2 secs Computing kpt #: 24 total cpu time spent up to now is 26.1 secs Computing kpt #: 25 total cpu time spent up to now is 27.0 secs Computing kpt #: 26 total cpu time spent up to now is 27.9 secs Computing kpt #: 27 total cpu time spent up to now is 28.8 secs Computing kpt #: 28 total cpu time spent up to now is 29.7 secs Computing kpt #: 29 total cpu time spent up to now is 30.5 secs Computing kpt #: 30 total cpu time spent up to now is 31.3 secs Computing kpt #: 31 total cpu time spent up to now is 32.2 secs Computing kpt #: 32 total cpu time spent up to now is 33.1 secs Computing kpt #: 33 total cpu time spent up to now is 34.0 secs Computing kpt #: 34 total cpu time spent up to now is 34.8 secs Computing kpt #: 35 total cpu time spent up to now is 35.7 secs Computing kpt #: 36 total cpu time spent up to now is 37.1 secs Computing kpt #: 37 total cpu time spent up to now is 38.0 secs Computing kpt #: 38 total cpu time spent up to now is 39.0 secs Computing kpt #: 39 total cpu time spent up to now is 39.9 secs Computing kpt #: 40 total cpu time spent up to now is 40.9 secs Computing kpt #: 41 total cpu time spent up to now is 41.8 secs Computing kpt #: 42 total cpu time spent up to now is 42.8 secs Computing kpt #: 43 total cpu time spent up to now is 43.8 secs Computing kpt #: 44 total cpu time spent up to now is 44.7 secs Computing kpt #: 45 total cpu time spent up to now is 45.7 secs Computing kpt #: 46 total cpu time spent up to now is 46.6 secs Computing kpt #: 47 total cpu time spent up to now is 47.6 secs Computing kpt #: 48 total cpu time spent up to now is 48.5 secs Computing kpt #: 49 total cpu time spent up to now is 49.5 secs Computing kpt #: 50 total cpu time spent up to now is 50.4 secs Computing kpt #: 51 total cpu time spent up to now is 51.2 secs Computing kpt #: 52 total cpu time spent up to now is 52.1 secs Computing kpt #: 53 total cpu time spent up to now is 53.0 secs Computing kpt #: 54 total cpu time spent up to now is 53.9 secs Computing kpt #: 55 total cpu time spent up to now is 54.7 secs Computing kpt #: 56 total cpu time spent up to now is 55.6 secs Computing kpt #: 57 total cpu time spent up to now is 56.5 secs Computing kpt #: 58 total cpu time spent up to now is 57.3 secs Computing kpt #: 59 total cpu time spent up to now is 58.2 secs Computing kpt #: 60 total cpu time spent up to now is 59.1 secs Computing kpt #: 61 total cpu time spent up to now is 59.9 secs Computing kpt #: 62 total cpu time spent up to now is 60.8 secs Computing kpt #: 63 total cpu time spent up to now is 61.7 secs Computing kpt #: 64 total cpu time spent up to now is 62.6 secs Computing kpt #: 65 total cpu time spent up to now is 63.6 secs Computing kpt #: 66 total cpu time spent up to now is 64.5 secs Computing kpt #: 67 total cpu time spent up to now is 65.5 secs Computing kpt #: 68 total cpu time spent up to now is 66.5 secs Computing kpt #: 69 total cpu time spent up to now is 67.7 secs Computing kpt #: 70 total cpu time spent up to now is 68.8 secs Computing kpt #: 71 total cpu time spent up to now is 69.9 secs Computing kpt #: 72 total cpu time spent up to now is 71.1 secs Computing kpt #: 73 total cpu time spent up to now is 72.2 secs Computing kpt #: 74 total cpu time spent up to now is 73.3 secs Computing kpt #: 75 total cpu time spent up to now is 74.4 secs Computing kpt #: 76 total cpu time spent up to now is 75.6 secs Computing kpt #: 77 total cpu time spent up to now is 76.8 secs Computing kpt #: 78 total cpu time spent up to now is 78.0 secs Computing kpt #: 79 total cpu time spent up to now is 79.3 secs Computing kpt #: 80 total cpu time spent up to now is 80.5 secs Computing kpt #: 81 total cpu time spent up to now is 81.8 secs Computing kpt #: 82 total cpu time spent up to now is 83.1 secs Computing kpt #: 83 total cpu time spent up to now is 84.2 secs Computing kpt #: 84 total cpu time spent up to now is 85.3 secs Computing kpt #: 85 total cpu time spent up to now is 86.4 secs Computing kpt #: 86 total cpu time spent up to now is 87.4 secs Computing kpt #: 87 total cpu time spent up to now is 88.3 secs Computing kpt #: 88 total cpu time spent up to now is 89.2 secs Computing kpt #: 89 total cpu time spent up to now is 90.0 secs Computing kpt #: 90 total cpu time spent up to now is 90.7 secs Computing kpt #: 91 total cpu time spent up to now is 91.5 secs Computing kpt #: 92 total cpu time spent up to now is 92.3 secs Computing kpt #: 93 total cpu time spent up to now is 93.0 secs Computing kpt #: 94 total cpu time spent up to now is 93.8 secs Computing kpt #: 95 total cpu time spent up to now is 94.5 secs Computing kpt #: 96 total cpu time spent up to now is 95.3 secs Computing kpt #: 97 total cpu time spent up to now is 96.0 secs Computing kpt #: 98 total cpu time spent up to now is 96.8 secs Computing kpt #: 99 total cpu time spent up to now is 97.5 secs Computing kpt #: 100 total cpu time spent up to now is 98.3 secs Computing kpt #: 101 total cpu time spent up to now is 99.0 secs Computing kpt #: 102 total cpu time spent up to now is 99.8 secs Computing kpt #: 103 total cpu time spent up to now is 100.5 secs Computing kpt #: 104 total cpu time spent up to now is 101.3 secs Computing kpt #: 105 total cpu time spent up to now is 102.1 secs Computing kpt #: 106 total cpu time spent up to now is 102.8 secs Computing kpt #: 107 total cpu time spent up to now is 103.6 secs Computing kpt #: 108 total cpu time spent up to now is 104.4 secs Computing kpt #: 109 total cpu time spent up to now is 105.2 secs Computing kpt #: 110 total cpu time spent up to now is 106.0 secs Computing kpt #: 111 total cpu time spent up to now is 106.8 secs Computing kpt #: 112 total cpu time spent up to now is 107.9 secs Computing kpt #: 113 total cpu time spent up to now is 109.1 secs Computing kpt #: 114 total cpu time spent up to now is 110.3 secs Computing kpt #: 115 total cpu time spent up to now is 111.5 secs Computing kpt #: 116 total cpu time spent up to now is 112.7 secs Computing kpt #: 117 total cpu time spent up to now is 113.9 secs Computing kpt #: 118 total cpu time spent up to now is 115.1 secs Computing kpt #: 119 total cpu time spent up to now is 116.3 secs Computing kpt #: 120 total cpu time spent up to now is 117.9 secs Computing kpt #: 121 total cpu time spent up to now is 119.3 secs Computing kpt #: 122 total cpu time spent up to now is 120.9 secs Computing kpt #: 123 total cpu time spent up to now is 122.5 secs Computing kpt #: 124 total cpu time spent up to now is 124.1 secs Computing kpt #: 125 total cpu time spent up to now is 125.7 secs Computing kpt #: 126 total cpu time spent up to now is 127.1 secs Computing kpt #: 127 total cpu time spent up to now is 128.6 secs Computing kpt #: 128 total cpu time spent up to now is 129.8 secs Computing kpt #: 129 total cpu time spent up to now is 131.1 secs Computing kpt #: 130 total cpu time spent up to now is 132.3 secs Computing kpt #: 131 total cpu time spent up to now is 133.5 secs Computing kpt #: 132 total cpu time spent up to now is 134.7 secs Computing kpt #: 133 total cpu time spent up to now is 135.9 secs Computing kpt #: 134 total cpu time spent up to now is 137.1 secs Computing kpt #: 135 total cpu time spent up to now is 138.2 secs Computing kpt #: 136 total cpu time spent up to now is 139.0 secs Computing kpt #: 137 total cpu time spent up to now is 139.8 secs Computing kpt #: 138 total cpu time spent up to now is 140.6 secs Computing kpt #: 139 total cpu time spent up to now is 141.4 secs Computing kpt #: 140 total cpu time spent up to now is 142.1 secs Computing kpt #: 141 total cpu time spent up to now is 142.8 secs Computing kpt #: 142 total cpu time spent up to now is 143.5 secs Computing kpt #: 143 total cpu time spent up to now is 144.2 secs Computing kpt #: 144 total cpu time spent up to now is 144.9 secs Computing kpt #: 145 total cpu time spent up to now is 145.7 secs Computing kpt #: 146 total cpu time spent up to now is 146.5 secs Computing kpt #: 147 total cpu time spent up to now is 147.4 secs Computing kpt #: 148 total cpu time spent up to now is 148.1 secs Computing kpt #: 149 total cpu time spent up to now is 148.8 secs Computing kpt #: 150 total cpu time spent up to now is 149.5 secs Computing kpt #: 151 total cpu time spent up to now is 150.2 secs Computing kpt #: 152 total cpu time spent up to now is 150.9 secs Computing kpt #: 153 total cpu time spent up to now is 151.6 secs Computing kpt #: 154 total cpu time spent up to now is 152.3 secs Computing kpt #: 155 total cpu time spent up to now is 153.1 secs Computing kpt #: 156 total cpu time spent up to now is 153.9 secs Computing kpt #: 157 total cpu time spent up to now is 154.7 secs Computing kpt #: 158 total cpu time spent up to now is 155.6 secs Computing kpt #: 159 total cpu time spent up to now is 156.6 secs Computing kpt #: 160 total cpu time spent up to now is 157.7 secs Computing kpt #: 161 total cpu time spent up to now is 158.8 secs Computing kpt #: 162 total cpu time spent up to now is 160.0 secs Computing kpt #: 163 total cpu time spent up to now is 161.2 secs Computing kpt #: 164 total cpu time spent up to now is 162.5 secs Computing kpt #: 165 total cpu time spent up to now is 163.8 secs Computing kpt #: 166 total cpu time spent up to now is 164.9 secs Computing kpt #: 167 total cpu time spent up to now is 166.2 secs Computing kpt #: 168 total cpu time spent up to now is 167.3 secs Computing kpt #: 169 total cpu time spent up to now is 168.4 secs Computing kpt #: 170 total cpu time spent up to now is 169.5 secs Computing kpt #: 171 total cpu time spent up to now is 170.6 secs Computing kpt #: 172 total cpu time spent up to now is 171.8 secs Computing kpt #: 173 total cpu time spent up to now is 172.9 secs Computing kpt #: 174 total cpu time spent up to now is 174.0 secs Computing kpt #: 175 total cpu time spent up to now is 175.1 secs Computing kpt #: 176 total cpu time spent up to now is 176.2 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.0 secs Computing kpt #: 178 total cpu time spent up to now is 180.0 secs Computing kpt #: 179 total cpu time spent up to now is 181.0 secs Computing kpt #: 180 total cpu time spent up to now is 181.9 secs Computing kpt #: 181 total cpu time spent up to now is 182.8 secs Computing kpt #: 182 total cpu time spent up to now is 183.6 secs Computing kpt #: 183 total cpu time spent up to now is 184.6 secs Computing kpt #: 184 total cpu time spent up to now is 185.4 secs Computing kpt #: 185 total cpu time spent up to now is 186.3 secs Computing kpt #: 186 total cpu time spent up to now is 187.2 secs Computing kpt #: 187 total cpu time spent up to now is 188.1 secs Computing kpt #: 188 total cpu time spent up to now is 188.9 secs Computing kpt #: 189 total cpu time spent up to now is 189.8 secs Computing kpt #: 190 total cpu time spent up to now is 190.7 secs Computing kpt #: 191 total cpu time spent up to now is 191.6 secs Computing kpt #: 192 total cpu time spent up to now is 192.5 secs Computing kpt #: 193 total cpu time spent up to now is 193.4 secs Computing kpt #: 194 total cpu time spent up to now is 194.3 secs Computing kpt #: 195 total cpu time spent up to now is 195.2 secs Computing kpt #: 196 total cpu time spent up to now is 197.3 secs Computing kpt #: 197 total cpu time spent up to now is 199.0 secs Computing kpt #: 198 total cpu time spent up to now is 200.4 secs Computing kpt #: 199 total cpu time spent up to now is 201.7 secs Computing kpt #: 200 total cpu time spent up to now is 203.1 secs Computing kpt #: 201 total cpu time spent up to now is 204.3 secs Computing kpt #: 202 total cpu time spent up to now is 205.5 secs Computing kpt #: 203 total cpu time spent up to now is 206.6 secs Computing kpt #: 204 total cpu time spent up to now is 207.6 secs Computing kpt #: 205 total cpu time spent up to now is 208.5 secs Computing kpt #: 206 total cpu time spent up to now is 209.3 secs Computing kpt #: 207 total cpu time spent up to now is 210.1 secs Computing kpt #: 208 total cpu time spent up to now is 210.8 secs Computing kpt #: 209 total cpu time spent up to now is 211.5 secs Computing kpt #: 210 total cpu time spent up to now is 212.2 secs Computing kpt #: 211 total cpu time spent up to now is 212.9 secs Computing kpt #: 212 total cpu time spent up to now is 213.6 secs Computing kpt #: 213 total cpu time spent up to now is 214.3 secs Computing kpt #: 214 total cpu time spent up to now is 215.0 secs Computing kpt #: 215 total cpu time spent up to now is 215.7 secs Computing kpt #: 216 total cpu time spent up to now is 216.4 secs ethr = 1.56E-08, avg # of iterations = 22.8 total cpu time spent up to now is 216.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -23.9792 -23.9792 -23.7406 -23.7406 -23.7405 -23.7405 -23.7405 -23.7405 -18.4559 -18.4559 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4511 -14.4511 -11.4142 -11.4142 -7.5842 -7.5842 -7.5842 -7.5842 -7.5830 -7.5830 -6.9668 -6.9668 -6.9538 -6.9538 -6.9538 -6.9538 -6.5678 -6.5678 -6.5678 -6.5678 -5.7780 -5.7780 -5.7624 -5.7624 -5.7624 -5.7624 -3.5655 -3.5655 -3.5655 -3.5655 -3.5581 -3.5581 -1.5829 -1.5829 -1.5829 -1.5829 -0.9253 -0.9253 -0.9199 -0.9199 -0.9199 -0.9199 1.8192 1.8192 1.8192 1.8192 2.1315 2.1315 2.1435 2.1435 2.1435 2.1435 2.9831 2.9831 2.9846 2.9846 3.0120 3.0120 3.0120 3.0120 k = 0.0000 0.0179-0.0000 ( 6895 PWs) bands (ev): -23.9790 -23.9790 -23.7408 -23.7408 -23.7406 -23.7406 -23.7405 -23.7405 -18.4550 -18.4550 -16.8397 -16.8397 -16.8374 -16.8374 -16.8373 -16.8373 -14.4481 -14.4481 -11.4170 -11.4170 -7.5862 -7.5862 -7.5854 -7.5854 -7.5820 -7.5820 -6.9652 -6.9652 -6.9529 -6.9529 -6.9511 -6.9511 -6.5673 -6.5673 -6.5663 -6.5663 -5.7780 -5.7780 -5.7628 -5.7628 -5.7620 -5.7620 -3.5690 -3.5690 -3.5686 -3.5686 -3.5614 -3.5614 -1.5812 -1.5812 -1.5807 -1.5807 -0.9233 -0.9233 -0.9181 -0.9181 -0.9164 -0.9164 1.7951 1.7951 1.8190 1.8190 2.1314 2.1314 2.1404 2.1404 2.1644 2.1644 2.9336 2.9336 2.9956 2.9956 3.0141 3.0141 3.0540 3.0540 k = 0.0000 0.0357-0.0000 ( 6895 PWs) bands (ev): -23.9785 -23.9785 -23.7414 -23.7414 -23.7406 -23.7406 -23.7405 -23.7405 -18.4523 -18.4523 -16.8466 -16.8466 -16.8374 -16.8374 -16.8373 -16.8373 -14.4390 -14.4390 -11.4256 -11.4256 -7.5919 -7.5919 -7.5911 -7.5911 -7.5769 -7.5769 -6.9625 -6.9625 -6.9482 -6.9482 -6.9430 -6.9430 -6.5658 -6.5658 -6.5618 -6.5618 -5.7784 -5.7784 -5.7638 -5.7638 -5.7609 -5.7609 -3.5796 -3.5796 -3.5780 -3.5780 -3.5713 -3.5713 -1.5759 -1.5759 -1.5740 -1.5740 -0.9213 -0.9213 -0.9090 -0.9090 -0.9059 -0.9059 1.7370 1.7370 1.8186 1.8186 2.1227 2.1227 2.1311 2.1311 2.2217 2.2217 2.8783 2.8783 3.0022 3.0022 3.0202 3.0202 3.1124 3.1124 k = 0.0000 0.0536-0.0000 ( 6895 PWs) bands (ev): -23.9776 -23.9776 -23.7424 -23.7424 -23.7406 -23.7406 -23.7405 -23.7405 -18.4479 -18.4479 -16.8579 -16.8579 -16.8374 -16.8374 -16.8373 -16.8373 -14.4241 -14.4241 -11.4399 -11.4399 -7.6011 -7.6011 -7.6002 -7.6002 -7.5685 -7.5685 -6.9618 -6.9618 -6.9370 -6.9370 -6.9299 -6.9299 -6.5633 -6.5633 -6.5543 -6.5543 -5.7800 -5.7800 -5.7644 -5.7644 -5.7590 -5.7590 -3.5973 -3.5973 -3.5934 -3.5934 -3.5873 -3.5873 -1.5672 -1.5672 -1.5631 -1.5631 -0.9199 -0.9199 -0.8921 -0.8921 -0.8886 -0.8886 1.6630 1.6630 1.8180 1.8180 2.1074 2.1074 2.1158 2.1158 2.2952 2.2952 2.8235 2.8235 3.0123 3.0123 3.0300 3.0300 3.1729 3.1729 k = 0.0000 0.0714-0.0000 ( 6887 PWs) bands (ev): -23.9764 -23.9764 -23.7438 -23.7438 -23.7406 -23.7406 -23.7405 -23.7405 -18.4417 -18.4417 -16.8736 -16.8736 -16.8374 -16.8374 -16.8373 -16.8373 -14.4034 -14.4034 -11.4596 -11.4596 -7.6132 -7.6132 -7.6123 -7.6123 -7.5569 -7.5569 -6.9627 -6.9627 -6.9202 -6.9202 -6.9124 -6.9124 -6.5598 -6.5598 -6.5438 -6.5438 -5.7838 -5.7838 -5.7636 -5.7636 -5.7563 -5.7563 -3.6220 -3.6220 -3.6146 -3.6146 -3.6091 -3.6091 -1.5550 -1.5550 -1.5483 -1.5483 -0.9183 -0.9183 -0.8685 -0.8685 -0.8648 -0.8648 1.5820 1.5820 1.8171 1.8171 2.0864 2.0864 2.0949 2.0949 2.3757 2.3757 2.7697 2.7697 3.0258 3.0258 3.0433 3.0433 3.2350 3.2350 k = 0.0000 0.0893-0.0000 ( 6895 PWs) bands (ev): -23.9749 -23.9749 -23.7456 -23.7456 -23.7406 -23.7406 -23.7405 -23.7405 -18.4338 -18.4338 -16.8934 -16.8934 -16.8374 -16.8374 -16.8373 -16.8373 -14.3772 -14.3772 -11.4847 -11.4847 -7.6277 -7.6277 -7.6268 -7.6268 -7.5426 -7.5426 -6.9645 -6.9645 -6.8991 -6.8991 -6.8910 -6.8910 -6.5553 -6.5553 -6.5300 -6.5300 -5.7900 -5.7900 -5.7613 -5.7613 -5.7527 -5.7527 -3.6533 -3.6533 -3.6412 -3.6412 -3.6361 -3.6361 -1.5393 -1.5393 -1.5298 -1.5298 -0.9164 -0.9164 -0.8386 -0.8386 -0.8347 -0.8347 1.4976 1.4976 1.8160 1.8160 2.0602 2.0602 2.0689 2.0689 2.4594 2.4594 2.7170 2.7170 3.0423 3.0423 3.0595 3.0595 3.2986 3.2986 k = 0.0000 0.1071-0.0000 ( 6891 PWs) bands (ev): -23.9730 -23.9730 -23.7479 -23.7479 -23.7406 -23.7406 -23.7405 -23.7405 -18.4241 -18.4241 -16.9169 -16.9169 -16.8374 -16.8374 -16.8373 -16.8373 -14.3458 -14.3458 -11.5149 -11.5149 -7.6441 -7.6441 -7.6431 -7.6431 -7.5257 -7.5257 -6.9669 -6.9669 -6.8746 -6.8746 -6.8664 -6.8664 -6.5498 -6.5498 -6.5129 -6.5129 -5.7982 -5.7982 -5.7575 -5.7575 -5.7483 -5.7483 -3.6908 -3.6908 -3.6729 -3.6729 -3.6682 -3.6682 -1.5203 -1.5203 -1.5082 -1.5082 -0.9142 -0.9142 -0.8030 -0.8030 -0.7989 -0.7989 1.4114 1.4114 1.8148 1.8148 2.0293 2.0293 2.0381 2.0381 2.5448 2.5448 2.6653 2.6653 3.0614 3.0614 3.0783 3.0783 3.3636 3.3636 k = 0.0000 0.1250-0.0000 ( 6883 PWs) bands (ev): -23.9708 -23.9708 -23.7504 -23.7504 -23.7406 -23.7406 -23.7405 -23.7405 -18.4127 -18.4127 -16.9438 -16.9438 -16.8374 -16.8374 -16.8373 -16.8373 -14.3096 -14.3096 -11.5500 -11.5500 -7.6619 -7.6619 -7.6608 -7.6608 -7.5068 -7.5068 -6.9698 -6.9698 -6.8474 -6.8474 -6.8391 -6.8391 -6.5434 -6.5434 -6.4925 -6.4925 -5.8081 -5.8081 -5.7525 -5.7525 -5.7429 -5.7429 -3.7339 -3.7339 -3.7091 -3.7091 -3.7047 -3.7047 -1.4980 -1.4980 -1.4838 -1.4838 -0.9116 -0.9116 -0.7620 -0.7620 -0.7577 -0.7577 1.3243 1.3243 1.8134 1.8134 1.9941 1.9941 2.0031 2.0031 2.6148 2.6148 2.6310 2.6310 3.0826 3.0826 3.0991 3.0991 3.4302 3.4302 k = 0.0000 0.1429-0.0000 ( 6867 PWs) bands (ev): -23.9682 -23.9682 -23.7534 -23.7534 -23.7405 -23.7405 -23.7405 -23.7405 -18.3995 -18.3995 -16.9739 -16.9739 -16.8375 -16.8375 -16.8374 -16.8374 -14.2688 -14.2688 -11.5896 -11.5896 -7.6805 -7.6805 -7.6794 -7.6794 -7.4862 -7.4862 -6.9731 -6.9731 -6.8182 -6.8182 -6.8098 -6.8098 -6.5360 -6.5360 -6.4684 -6.4684 -5.8195 -5.8195 -5.7463 -5.7463 -5.7364 -5.7364 -3.7822 -3.7822 -3.7493 -3.7493 -3.7453 -3.7453 -1.4724 -1.4724 -1.4572 -1.4572 -0.9088 -0.9088 -0.7161 -0.7161 -0.7117 -0.7117 1.2367 1.2367 1.8120 1.8120 1.9551 1.9551 1.9643 1.9643 2.5655 2.5655 2.7175 2.7175 3.1054 3.1054 3.1215 3.1215 3.4984 3.4984 k = 0.0000 0.1607-0.0000 ( 6863 PWs) bands (ev): -23.9654 -23.9654 -23.7567 -23.7567 -23.7405 -23.7405 -23.7405 -23.7405 -18.3847 -18.3847 -17.0068 -17.0068 -16.8375 -16.8375 -16.8374 -16.8374 -14.2238 -14.2238 -11.6336 -11.6336 -7.6995 -7.6995 -7.6985 -7.6985 -7.4643 -7.4643 -6.9769 -6.9769 -6.7874 -6.7874 -6.7790 -6.7790 -6.5276 -6.5276 -6.4407 -6.4407 -5.8324 -5.8324 -5.7390 -5.7390 -5.7289 -5.7289 -3.8352 -3.8352 -3.7931 -3.7931 -3.7894 -3.7894 -1.4437 -1.4437 -1.4288 -1.4288 -0.9059 -0.9059 -0.6659 -0.6659 -0.6612 -0.6612 1.1490 1.1490 1.8105 1.8105 1.9127 1.9127 1.9220 1.9220 2.5174 2.5174 2.8040 2.8040 3.1295 3.1295 3.1451 3.1451 3.5683 3.5683 k = 0.0000 0.1786-0.0000 ( 6863 PWs) bands (ev): -23.9622 -23.9622 -23.7604 -23.7604 -23.7405 -23.7405 -23.7405 -23.7405 -18.3682 -18.3682 -17.0422 -17.0422 -16.8375 -16.8375 -16.8374 -16.8374 -14.1749 -14.1749 -11.6816 -11.6816 -7.7188 -7.7188 -7.7177 -7.7177 -7.4415 -7.4415 -6.9812 -6.9812 -6.7556 -6.7556 -6.7472 -6.7472 -6.5183 -6.5183 -6.4091 -6.4091 -5.8465 -5.8465 -5.7304 -5.7304 -5.7201 -5.7201 -3.8924 -3.8924 -3.8401 -3.8401 -3.8367 -3.8367 -1.4119 -1.4119 -1.3991 -1.3991 -0.9029 -0.9029 -0.6118 -0.6118 -0.6068 -0.6068 1.0612 1.0612 1.8091 1.8091 1.8671 1.8671 1.8766 1.8766 2.4705 2.4705 2.8904 2.8904 3.1545 3.1545 3.1697 3.1697 3.6399 3.6399 k = 0.0000 0.1964-0.0000 ( 6867 PWs) bands (ev): -23.9587 -23.9587 -23.7644 -23.7644 -23.7405 -23.7405 -23.7405 -23.7405 -18.3500 -18.3500 -17.0797 -17.0797 -16.8375 -16.8375 -16.8374 -16.8374 -14.1225 -14.1225 -11.7333 -11.7333 -7.7379 -7.7379 -7.7368 -7.7368 -7.4184 -7.4184 -6.9858 -6.9858 -6.7233 -6.7233 -6.7149 -6.7149 -6.5081 -6.5081 -6.3737 -6.3737 -5.8619 -5.8619 -5.7204 -5.7204 -5.7101 -5.7101 -3.9535 -3.9535 -3.8896 -3.8896 -3.8865 -3.8865 -1.3771 -1.3771 -1.3683 -1.3683 -0.8999 -0.8999 -0.5541 -0.5541 -0.5490 -0.5490 0.9735 0.9735 1.8078 1.8078 1.8188 1.8188 1.8283 1.8283 2.4249 2.4249 2.9764 2.9764 3.1801 3.1801 3.1948 3.1948 3.7133 3.7133 k = 0.0000 0.2143-0.0000 ( 6868 PWs) bands (ev): -23.9550 -23.9550 -23.7687 -23.7687 -23.7405 -23.7405 -23.7405 -23.7405 -18.3302 -18.3302 -17.1190 -17.1190 -16.8375 -16.8375 -16.8375 -16.8375 -14.0669 -14.0669 -11.7883 -11.7883 -7.7566 -7.7566 -7.7556 -7.7556 -7.3951 -7.3951 -6.9909 -6.9909 -6.6907 -6.6907 -6.6824 -6.6824 -6.4970 -6.4970 -6.3343 -6.3343 -5.8783 -5.8783 -5.7089 -5.7089 -5.6986 -5.6986 -4.0179 -4.0179 -3.9412 -3.9412 -3.9384 -3.9384 -1.3393 -1.3393 -1.3370 -1.3370 -0.8969 -0.8969 -0.4934 -0.4934 -0.4880 -0.4880 0.8862 0.8862 1.7678 1.7678 1.7774 1.7774 1.8068 1.8068 2.3807 2.3807 3.0619 3.0619 3.2060 3.2060 3.2203 3.2203 3.7886 3.7886 k = 0.0000 0.2321-0.0000 ( 6860 PWs) bands (ev): -23.9509 -23.9509 -23.7733 -23.7733 -23.7405 -23.7405 -23.7404 -23.7404 -18.3088 -18.3088 -17.1598 -17.1598 -16.8376 -16.8376 -16.8375 -16.8375 -14.0083 -14.0083 -11.8465 -11.8465 -7.7748 -7.7748 -7.7739 -7.7739 -7.3721 -7.3721 -6.9964 -6.9964 -6.6584 -6.6584 -6.6502 -6.6502 -6.4849 -6.4849 -6.2910 -6.2910 -5.8958 -5.8958 -5.6959 -5.6959 -5.6856 -5.6856 -4.0853 -4.0853 -3.9945 -3.9945 -3.9921 -3.9921 -1.3054 -1.3054 -1.2987 -1.2987 -0.8941 -0.8941 -0.4300 -0.4300 -0.4244 -0.4244 0.7992 0.7992 1.7145 1.7145 1.7242 1.7242 1.8059 1.8059 2.3378 2.3378 3.1469 3.1469 3.2321 3.2321 3.2457 3.2457 3.8659 3.8659 k = 0.0000 0.2500-0.0000 ( 6896 PWs) bands (ev): -23.9466 -23.9466 -23.7782 -23.7782 -23.7405 -23.7405 -23.7404 -23.7404 -18.2858 -18.2858 -17.2020 -17.2020 -16.8376 -16.8376 -16.8375 -16.8375 -13.9471 -13.9471 -11.9075 -11.9075 -7.7924 -7.7924 -7.7914 -7.7914 -7.3495 -7.3495 -7.0022 -7.0022 -6.6268 -6.6268 -6.6186 -6.6186 -6.4720 -6.4720 -6.2438 -6.2438 -5.9142 -5.9142 -5.6813 -5.6813 -5.6711 -5.6711 -4.1555 -4.1555 -4.0491 -4.0491 -4.0469 -4.0469 -1.2739 -1.2739 -1.2554 -1.2554 -0.8915 -0.8915 -0.3644 -0.3644 -0.3585 -0.3585 0.7127 0.7127 1.6591 1.6591 1.6688 1.6688 1.8055 1.8055 2.2964 2.2964 3.2310 3.2310 3.2581 3.2581 3.2710 3.2710 3.9451 3.9451 k = 0.0000 0.2679-0.0000 ( 6872 PWs) bands (ev): -23.9420 -23.9420 -23.7833 -23.7833 -23.7405 -23.7405 -23.7404 -23.7404 -18.2613 -18.2613 -17.2452 -17.2452 -16.8376 -16.8376 -16.8375 -16.8375 -13.8835 -13.8835 -11.9711 -11.9711 -7.8091 -7.8091 -7.8082 -7.8082 -7.3276 -7.3276 -7.0084 -7.0084 -6.5960 -6.5960 -6.5880 -6.5880 -6.4583 -6.4583 -6.1927 -6.1927 -5.9333 -5.9333 -5.6649 -5.6649 -5.6549 -5.6549 -4.2279 -4.2279 -4.1044 -4.1044 -4.1026 -4.1026 -1.2427 -1.2427 -1.2095 -1.2095 -0.8893 -0.8893 -0.2967 -0.2967 -0.2907 -0.2907 0.6267 0.6267 1.6017 1.6017 1.6114 1.6114 1.8055 1.8055 2.2566 2.2566 3.2830 3.2830 3.2959 3.2959 3.3152 3.3152 4.0264 4.0264 k = 0.0000 0.2857-0.0000 ( 6864 PWs) bands (ev): -23.9372 -23.9372 -23.7887 -23.7887 -23.7404 -23.7404 -23.7404 -23.7404 -18.2352 -18.2352 -17.2891 -17.2891 -16.8376 -16.8376 -16.8376 -16.8376 -13.8178 -13.8178 -12.0370 -12.0370 -7.8248 -7.8248 -7.8240 -7.8240 -7.3066 -7.3066 -7.0150 -7.0150 -6.5665 -6.5665 -6.5588 -6.5588 -6.4437 -6.4437 -6.1380 -6.1380 -5.9532 -5.9532 -5.6468 -5.6468 -5.6370 -5.6370 -4.3025 -4.3025 -4.1600 -4.1600 -4.1585 -4.1585 -1.2120 -1.2120 -1.1610 -1.1610 -0.8876 -0.8876 -0.2274 -0.2274 -0.2212 -0.2212 0.5413 0.5413 1.5425 1.5425 1.5522 1.5522 1.8061 1.8061 2.2183 2.2183 3.3080 3.3080 3.3201 3.3201 3.3979 3.3979 4.1097 4.1097 k = 0.0000 0.3036-0.0000 ( 6884 PWs) bands (ev): -23.9321 -23.9321 -23.7943 -23.7943 -23.7404 -23.7404 -23.7404 -23.7404 -18.2077 -18.2077 -17.3337 -17.3337 -16.8377 -16.8377 -16.8376 -16.8376 -13.7501 -13.7501 -12.1049 -12.1049 -7.8396 -7.8396 -7.8388 -7.8388 -7.2864 -7.2864 -7.0219 -7.0219 -6.5386 -6.5386 -6.5312 -6.5312 -6.4284 -6.4284 -6.0799 -6.0799 -5.9737 -5.9737 -5.6270 -5.6270 -5.6175 -5.6175 -4.3788 -4.3788 -4.2156 -4.2156 -4.2144 -4.2144 -1.1822 -1.1822 -1.1101 -1.1101 -0.8865 -0.8865 -0.1569 -0.1569 -0.1504 -0.1504 0.4565 0.4565 1.4817 1.4817 1.4914 1.4914 1.8074 1.8074 2.1816 2.1816 3.3321 3.3321 3.3435 3.3435 3.4797 3.4797 4.1951 4.1951 k = 0.0000 0.3214-0.0000 ( 6904 PWs) bands (ev): -23.9268 -23.9268 -23.8001 -23.8001 -23.7404 -23.7404 -23.7404 -23.7404 -18.1788 -18.1788 -17.3787 -17.3787 -16.8377 -16.8377 -16.8376 -16.8376 -13.6807 -13.6807 -12.1746 -12.1746 -7.8533 -7.8533 -7.8526 -7.8526 -7.2673 -7.2673 -7.0292 -7.0292 -6.5126 -6.5126 -6.5055 -6.5055 -6.4122 -6.4122 -6.0191 -6.0191 -5.9940 -5.9940 -5.6056 -5.6056 -5.5965 -5.5965 -4.4567 -4.4567 -4.2705 -4.2705 -4.2697 -4.2697 -1.1533 -1.1533 -1.0568 -1.0568 -0.8860 -0.8860 -0.0853 -0.0853 -0.0787 -0.0787 0.3725 0.3725 1.4195 1.4195 1.4291 1.4291 1.8094 1.8094 2.1465 2.1465 3.3551 3.3551 3.3657 3.3657 3.5607 3.5607 4.2826 4.2826 k = 0.0000 0.3393-0.0000 ( 6896 PWs) bands (ev): -23.9213 -23.9213 -23.8062 -23.8062 -23.7404 -23.7404 -23.7404 -23.7404 -18.1484 -18.1484 -17.4239 -17.4239 -16.8377 -16.8377 -16.8377 -16.8377 -13.6098 -13.6098 -12.2460 -12.2460 -7.8658 -7.8658 -7.8652 -7.8652 -7.2490 -7.2490 -7.0369 -7.0369 -6.4885 -6.4885 -6.4819 -6.4819 -6.3953 -6.3953 -6.0169 -6.0169 -5.9530 -5.9530 -5.5827 -5.5827 -5.5741 -5.5741 -4.5359 -4.5359 -4.3243 -4.3243 -4.3238 -4.3238 -1.1256 -1.1256 -1.0013 -1.0013 -0.8864 -0.8864 -0.0130 -0.0130 -0.0063 -0.0063 0.2893 0.2893 1.3560 1.3560 1.3656 1.3656 1.8124 1.8124 2.1132 2.1132 3.3770 3.3770 3.3868 3.3868 3.6406 3.6406 4.3722 4.3722 k = 0.0000 0.3571-0.0000 ( 6876 PWs) bands (ev): -23.9156 -23.9156 -23.8123 -23.8123 -23.7404 -23.7404 -23.7404 -23.7404 -18.1167 -18.1167 -17.4692 -17.4692 -16.8377 -16.8377 -16.8377 -16.8377 -13.5376 -13.5376 -12.3187 -12.3187 -7.8771 -7.8771 -7.8766 -7.8766 -7.2318 -7.2318 -7.0448 -7.0448 -6.4667 -6.4667 -6.4605 -6.4605 -6.3778 -6.3778 -6.0386 -6.0386 -5.8858 -5.8858 -5.5588 -5.5588 -5.5507 -5.5507 -4.6162 -4.6162 -4.3764 -4.3764 -4.3761 -4.3761 -1.0991 -1.0991 -0.9436 -0.9436 -0.8876 -0.8876 0.0596 0.0596 0.0665 0.0665 0.2069 0.2069 1.2916 1.2916 1.3010 1.3010 1.8163 1.8163 2.0817 2.0817 3.3974 3.3974 3.4063 3.4063 3.7195 3.7195 4.4639 4.4639 k = 0.0000 0.3750-0.0000 ( 6876 PWs) bands (ev): -23.9097 -23.9097 -23.8186 -23.8186 -23.7404 -23.7404 -23.7404 -23.7404 -18.0836 -18.0836 -17.5145 -17.5145 -16.8377 -16.8377 -16.8377 -16.8377 -13.4641 -13.4641 -12.3926 -12.3926 -7.8872 -7.8872 -7.8867 -7.8867 -7.2154 -7.2154 -7.0532 -7.0532 -6.4472 -6.4472 -6.4417 -6.4417 -6.3595 -6.3595 -6.0607 -6.0607 -5.8158 -5.8158 -5.5341 -5.5341 -5.5267 -5.5267 -4.6974 -4.6974 -4.4261 -4.4261 -4.4261 -4.4261 -1.0740 -1.0740 -0.8910 -0.8910 -0.8827 -0.8827 0.1244 0.1244 0.1322 0.1322 0.1403 0.1403 1.2264 1.2264 1.2357 1.2357 1.8213 1.8213 2.0520 2.0520 3.4161 3.4161 3.4242 3.4242 3.7972 3.7972 4.5576 4.5576 k = 0.0000 0.3929-0.0000 ( 6900 PWs) bands (ev): -23.9036 -23.9036 -23.8251 -23.8251 -23.7404 -23.7404 -23.7404 -23.7404 -18.0493 -18.0493 -17.5595 -17.5595 -16.8378 -16.8378 -16.8377 -16.8377 -13.3896 -13.3896 -12.4676 -12.4676 -7.8960 -7.8960 -7.8956 -7.8956 -7.1999 -7.1999 -7.0618 -7.0618 -6.4302 -6.4302 -6.4253 -6.4253 -6.3407 -6.3407 -6.0830 -6.0830 -5.7434 -5.7434 -5.5094 -5.5094 -5.5028 -5.5028 -4.7793 -4.7793 -4.4728 -4.4728 -4.4727 -4.4727 -1.0504 -1.0504 -0.8935 -0.8935 -0.8219 -0.8219 0.0447 0.0447 0.2043 0.2043 0.2116 0.2116 1.1609 1.1609 1.1700 1.1700 1.8275 1.8275 2.0240 2.0240 3.4330 3.4330 3.4401 3.4401 3.8737 3.8737 4.6534 4.6534 k = 0.0000 0.4107-0.0000 ( 6896 PWs) bands (ev): -23.8974 -23.8974 -23.8316 -23.8316 -23.7404 -23.7404 -23.7404 -23.7404 -18.0137 -18.0137 -17.6042 -17.6042 -16.8378 -16.8378 -16.8377 -16.8377 -13.3143 -13.3143 -12.5433 -12.5433 -7.9035 -7.9035 -7.9031 -7.9031 -7.1852 -7.1852 -7.0709 -7.0709 -6.4157 -6.4157 -6.4115 -6.4115 -6.3213 -6.3213 -6.1055 -6.1055 -5.6690 -5.6690 -5.4855 -5.4855 -5.4797 -5.4797 -4.8616 -4.8616 -4.5154 -4.5154 -4.5151 -4.5151 -1.0283 -1.0283 -0.8981 -0.8981 -0.7583 -0.7583 -0.0347 -0.0347 0.2753 0.2753 0.2825 0.2825 1.0958 1.0958 1.1045 1.1045 1.8350 1.8350 1.9979 1.9979 3.4478 3.4478 3.4538 3.4538 3.9488 3.9488 4.6155 4.6155 k = 0.0000 0.4286-0.0000 ( 6900 PWs) bands (ev): -23.8911 -23.8911 -23.8382 -23.8382 -23.7404 -23.7404 -23.7404 -23.7404 -17.9770 -17.9770 -17.6485 -17.6485 -16.8378 -16.8378 -16.8378 -16.8378 -13.2382 -13.2382 -12.6198 -12.6198 -7.9096 -7.9096 -7.9093 -7.9093 -7.1713 -7.1713 -7.0802 -7.0802 -6.4038 -6.4038 -6.4004 -6.4004 -6.3013 -6.3013 -6.1280 -6.1280 -5.5927 -5.5927 -5.4633 -5.4633 -5.4585 -5.4585 -4.9443 -4.9443 -4.5528 -4.5528 -4.5524 -4.5524 -1.0079 -1.0079 -0.9041 -0.9041 -0.6928 -0.6928 -0.1131 -0.1131 0.3441 0.3441 0.3511 0.3511 1.0320 1.0320 1.0402 1.0402 1.8439 1.8439 1.9736 1.9736 3.4604 3.4604 3.4653 3.4653 4.0226 4.0226 4.5567 4.5567 k = 0.0000 0.4464-0.0000 ( 6888 PWs) bands (ev): -23.8847 -23.8847 -23.8448 -23.8448 -23.7404 -23.7404 -23.7403 -23.7403 -17.9392 -17.9392 -17.6923 -17.6923 -16.8378 -16.8378 -16.8378 -16.8378 -13.1615 -13.1615 -12.6968 -12.6968 -7.9144 -7.9144 -7.9142 -7.9142 -7.1580 -7.1580 -7.0900 -7.0900 -6.3944 -6.3944 -6.3918 -6.3918 -6.2808 -6.2808 -6.1504 -6.1504 -5.5149 -5.5149 -5.4439 -5.4439 -5.4403 -5.4403 -5.0271 -5.0271 -4.5837 -4.5837 -4.5834 -4.5834 -0.9891 -0.9891 -0.9115 -0.9115 -0.6256 -0.6256 -0.1903 -0.1903 0.4090 0.4090 0.4156 0.4156 0.9714 0.9714 0.9789 0.9789 1.8542 1.8542 1.9513 1.9513 3.4705 3.4705 3.4742 3.4742 4.0951 4.0951 4.4961 4.4961 k = 0.0000 0.4643-0.0000 ( 6876 PWs) bands (ev): -23.8781 -23.8781 -23.8515 -23.8515 -23.7404 -23.7404 -23.7403 -23.7403 -17.9003 -17.9003 -17.7355 -17.7355 -16.8378 -16.8378 -16.8378 -16.8378 -13.0844 -13.0844 -12.7741 -12.7741 -7.9178 -7.9178 -7.9177 -7.9177 -7.1454 -7.1454 -7.1002 -7.1002 -6.3875 -6.3875 -6.3858 -6.3858 -6.2599 -6.2599 -6.1728 -6.1728 -5.4369 -5.4369 -5.4276 -5.4276 -5.4263 -5.4263 -5.1097 -5.1097 -4.6070 -4.6070 -4.6067 -4.6067 -0.9720 -0.9720 -0.9204 -0.9204 -0.5567 -0.5567 -0.2663 -0.2663 0.4666 0.4666 0.4721 0.4721 0.9177 0.9177 0.9239 0.9239 1.8662 1.8662 1.9307 1.9307 3.4780 3.4780 3.4805 3.4805 4.1660 4.1660 4.4335 4.4335 k = 0.0000 0.4821-0.0000 ( 6876 PWs) bands (ev): -23.8715 -23.8715 -23.8582 -23.8582 -23.7403 -23.7403 -23.7403 -23.7403 -17.8604 -17.8604 -17.7779 -17.7779 -16.8378 -16.8378 -16.8378 -16.8378 -13.0070 -13.0070 -12.8517 -12.8517 -7.9199 -7.9199 -7.9198 -7.9198 -7.1333 -7.1333 -7.1108 -7.1108 -6.3832 -6.3832 -6.3824 -6.3824 -6.2386 -6.2386 -6.1950 -6.1950 -5.4191 -5.4191 -5.4177 -5.4177 -5.3551 -5.3551 -5.1921 -5.1921 -4.6215 -4.6215 -4.6213 -4.6213 -0.9566 -0.9566 -0.9309 -0.9309 -0.4863 -0.4863 -0.3410 -0.3410 0.5099 0.5099 0.5134 0.5134 0.8782 0.8782 0.8819 0.8819 1.8797 1.8797 1.9119 1.9119 3.4828 3.4828 3.4841 3.4841 4.2353 4.2353 4.3692 4.3692 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -23.8649 -23.8649 -23.8649 -23.8649 -23.7403 -23.7403 -23.7403 -23.7403 -17.8196 -17.8196 -17.8196 -17.8196 -16.8378 -16.8378 -16.8378 -16.8378 -12.9294 -12.9294 -12.9294 -12.9294 -7.9205 -7.9205 -7.9205 -7.9205 -7.1218 -7.1218 -7.1218 -7.1218 -6.3815 -6.3815 -6.3815 -6.3815 -6.2169 -6.2169 -6.2169 -6.2169 -5.4151 -5.4151 -5.4151 -5.4151 -5.2739 -5.2739 -5.2739 -5.2739 -4.6263 -4.6263 -4.6263 -4.6263 -0.9429 -0.9429 -0.9429 -0.9429 -0.4144 -0.4144 -0.4144 -0.4144 0.5281 0.5281 0.5281 0.5281 0.8642 0.8642 0.8642 0.8642 1.8950 1.8950 1.8950 1.8950 3.4849 3.4849 3.4849 3.4849 4.3031 4.3031 4.3031 4.3031 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -23.8649 -23.8649 -23.8649 -23.8649 -23.7403 -23.7403 -23.7403 -23.7403 -17.8196 -17.8196 -17.8196 -17.8196 -16.8378 -16.8378 -16.8378 -16.8378 -12.9294 -12.9294 -12.9294 -12.9294 -7.9205 -7.9205 -7.9205 -7.9205 -7.1218 -7.1218 -7.1218 -7.1218 -6.3815 -6.3815 -6.3815 -6.3815 -6.2169 -6.2169 -6.2169 -6.2169 -5.4151 -5.4151 -5.4151 -5.4151 -5.2739 -5.2739 -5.2739 -5.2739 -4.6263 -4.6263 -4.6263 -4.6263 -0.9429 -0.9429 -0.9429 -0.9429 -0.4144 -0.4144 -0.4144 -0.4144 0.5281 0.5281 0.5281 0.5281 0.8642 0.8642 0.8642 0.8642 1.8950 1.8950 1.8950 1.8950 3.4849 3.4849 3.4849 3.4849 4.3031 4.3031 4.3031 4.3031 k = 0.0179 0.5000-0.0000 ( 6866 PWs) bands (ev): -23.8649 -23.8649 -23.8649 -23.8649 -23.7404 -23.7404 -23.7404 -23.7404 -17.8196 -17.8196 -17.8196 -17.8196 -16.8378 -16.8378 -16.8378 -16.8378 -12.9294 -12.9294 -12.9294 -12.9294 -7.9212 -7.9212 -7.9209 -7.9209 -7.1211 -7.1211 -7.1204 -7.1204 -6.3864 -6.3864 -6.3842 -6.3842 -6.2148 -6.2148 -6.2122 -6.2122 -5.4190 -5.4190 -5.4173 -5.4173 -5.2705 -5.2705 -5.2691 -5.2691 -4.6279 -4.6279 -4.6276 -4.6276 -0.9418 -0.9418 -0.9414 -0.9414 -0.4162 -0.4162 -0.4158 -0.4158 0.5290 0.5290 0.5293 0.5293 0.8631 0.8631 0.8632 0.8632 1.8945 1.8945 1.8961 1.8961 3.4850 3.4850 3.4858 3.4858 4.3028 4.3028 4.3036 4.3036 k = 0.0357 0.5000-0.0000 ( 6878 PWs) bands (ev): -23.8648 -23.8648 -23.8648 -23.8648 -23.7404 -23.7404 -23.7404 -23.7404 -17.8197 -17.8197 -17.8197 -17.8197 -16.8378 -16.8378 -16.8377 -16.8377 -12.9293 -12.9293 -12.9293 -12.9293 -7.9228 -7.9228 -7.9223 -7.9223 -7.1184 -7.1184 -7.1171 -7.1171 -6.3975 -6.3975 -6.3936 -6.3936 -6.2065 -6.2065 -6.2018 -6.2018 -5.4278 -5.4278 -5.4248 -5.4248 -5.2594 -5.2594 -5.2572 -5.2572 -4.6323 -4.6323 -4.6317 -4.6317 -0.9381 -0.9381 -0.9372 -0.9372 -0.4214 -0.4214 -0.4205 -0.4205 0.5320 0.5320 0.5325 0.5325 0.8601 0.8601 0.8603 0.8603 1.8946 1.8946 1.8978 1.8978 3.4860 3.4860 3.4877 3.4877 4.3026 4.3026 4.3042 4.3042 k = 0.0536 0.5000-0.0000 ( 6874 PWs) bands (ev): -23.8647 -23.8647 -23.8647 -23.8647 -23.7406 -23.7406 -23.7406 -23.7406 -17.8197 -17.8197 -17.8197 -17.8197 -16.8377 -16.8377 -16.8377 -16.8377 -12.9293 -12.9293 -12.9292 -12.9292 -7.9254 -7.9254 -7.9246 -7.9246 -7.1138 -7.1138 -7.1118 -7.1118 -6.4128 -6.4128 -6.4080 -6.4080 -6.1938 -6.1938 -6.1876 -6.1876 -5.4396 -5.4396 -5.4357 -5.4357 -5.2428 -5.2428 -5.2401 -5.2401 -4.6394 -4.6394 -4.6386 -4.6386 -0.9317 -0.9317 -0.9305 -0.9305 -0.4296 -0.4296 -0.4283 -0.4283 0.5370 0.5370 0.5378 0.5378 0.8552 0.8552 0.8555 0.8555 1.8953 1.8953 1.9001 1.9001 3.4880 3.4880 3.4905 3.4905 4.3025 4.3025 4.3049 4.3049 k = 0.0714 0.5000-0.0000 ( 6870 PWs) bands (ev): -23.8645 -23.8645 -23.8645 -23.8645 -23.7407 -23.7407 -23.7407 -23.7407 -17.8198 -17.8198 -17.8198 -17.8198 -16.8377 -16.8377 -16.8376 -16.8376 -12.9292 -12.9292 -12.9291 -12.9291 -7.9288 -7.9288 -7.9278 -7.9278 -7.1075 -7.1075 -7.1048 -7.1048 -6.4306 -6.4306 -6.4252 -6.4252 -6.1786 -6.1786 -6.1715 -6.1715 -5.4528 -5.4528 -5.4483 -5.4483 -5.2225 -5.2225 -5.2196 -5.2196 -4.6491 -4.6491 -4.6480 -4.6480 -0.9229 -0.9229 -0.9212 -0.9212 -0.4409 -0.4409 -0.4391 -0.4391 0.5438 0.5438 0.5447 0.5447 0.8487 0.8487 0.8490 0.8490 1.8965 1.8965 1.9027 1.9027 3.4908 3.4908 3.4941 3.4941 4.3026 4.3026 4.3058 4.3058 k = 0.0893 0.5000-0.0000 ( 6878 PWs) bands (ev): -23.8643 -23.8643 -23.8643 -23.8643 -23.7409 -23.7409 -23.7409 -23.7409 -17.8200 -17.8200 -17.8199 -17.8199 -16.8376 -16.8376 -16.8375 -16.8375 -12.9290 -12.9290 -12.9290 -12.9290 -7.9331 -7.9331 -7.9319 -7.9319 -7.0997 -7.0997 -7.0964 -7.0964 -6.4493 -6.4493 -6.4438 -6.4438 -6.1622 -6.1622 -6.1546 -6.1546 -5.4664 -5.4664 -5.4615 -5.4615 -5.1996 -5.1996 -5.1968 -5.1968 -4.6613 -4.6613 -4.6598 -4.6598 -0.9117 -0.9117 -0.9096 -0.9096 -0.4548 -0.4548 -0.4528 -0.4528 0.5521 0.5521 0.5532 0.5532 0.8408 0.8408 0.8411 0.8411 1.8981 1.8981 1.9056 1.9056 3.4943 3.4943 3.4984 3.4984 4.3028 4.3028 4.3068 4.3068 k = 0.1071 0.5000-0.0000 ( 6870 PWs) bands (ev): -23.8640 -23.8640 -23.8640 -23.8640 -23.7412 -23.7412 -23.7412 -23.7412 -17.8201 -17.8201 -17.8201 -17.8201 -16.8375 -16.8375 -16.8375 -16.8375 -12.9289 -12.9289 -12.9289 -12.9289 -7.9379 -7.9379 -7.9366 -7.9366 -7.0907 -7.0907 -7.0868 -7.0868 -6.4681 -6.4681 -6.4626 -6.4626 -6.1456 -6.1456 -6.1376 -6.1376 -5.4797 -5.4797 -5.4746 -5.4746 -5.1753 -5.1753 -5.1727 -5.1727 -4.6757 -4.6757 -4.6738 -4.6738 -0.8983 -0.8983 -0.8958 -0.8958 -0.4713 -0.4713 -0.4689 -0.4689 0.5615 0.5615 0.5628 0.5628 0.8319 0.8319 0.8323 0.8323 1.8998 1.8998 1.9086 1.9086 3.4984 3.4984 3.5031 3.5031 4.3032 4.3032 4.3080 4.3080 k = 0.1250 0.5000-0.0000 ( 6874 PWs) bands (ev): -23.8637 -23.8637 -23.8637 -23.8637 -23.7415 -23.7415 -23.7414 -23.7414 -17.8203 -17.8203 -17.8202 -17.8202 -16.8374 -16.8374 -16.8373 -16.8373 -12.9287 -12.9287 -12.9287 -12.9287 -7.9434 -7.9434 -7.9418 -7.9418 -7.0810 -7.0810 -7.0766 -7.0766 -6.4861 -6.4861 -6.4807 -6.4807 -6.1294 -6.1294 -6.1211 -6.1211 -5.4924 -5.4924 -5.4871 -5.4871 -5.1501 -5.1501 -5.1479 -5.1479 -4.6919 -4.6919 -4.6896 -4.6896 -0.8829 -0.8829 -0.8801 -0.8801 -0.4899 -0.4899 -0.4873 -0.4873 0.5716 0.5716 0.5730 0.5730 0.8225 0.8225 0.8229 0.8229 1.9016 1.9016 1.9116 1.9116 3.5027 3.5027 3.5081 3.5081 4.3037 4.3037 4.3094 4.3094 k = 0.1429 0.5000-0.0000 ( 6858 PWs) bands (ev): -23.8634 -23.8634 -23.8634 -23.8634 -23.7418 -23.7418 -23.7418 -23.7418 -17.8205 -17.8205 -17.8204 -17.8204 -16.8373 -16.8373 -16.8372 -16.8372 -12.9286 -12.9286 -12.9285 -12.9285 -7.9492 -7.9492 -7.9475 -7.9475 -7.0710 -7.0710 -7.0660 -7.0660 -6.5026 -6.5026 -6.4975 -6.4975 -6.1139 -6.1139 -6.1055 -6.1055 -5.5042 -5.5042 -5.4989 -5.4989 -5.1249 -5.1249 -5.1231 -5.1231 -4.7094 -4.7094 -4.7067 -4.7067 -0.8657 -0.8657 -0.8625 -0.8625 -0.5103 -0.5103 -0.5075 -0.5075 0.5819 0.5819 0.5834 0.5834 0.8133 0.8133 0.8136 0.8136 1.9033 1.9033 1.9142 1.9142 3.5072 3.5072 3.5131 3.5131 4.3044 4.3044 4.3109 4.3109 k = 0.1607 0.5000-0.0000 ( 6864 PWs) bands (ev): -23.8631 -23.8631 -23.8630 -23.8630 -23.7421 -23.7421 -23.7421 -23.7421 -17.8207 -17.8207 -17.8206 -17.8206 -16.8371 -16.8371 -16.8371 -16.8371 -12.9284 -12.9284 -12.9283 -12.9283 -7.9553 -7.9553 -7.9535 -7.9535 -7.0612 -7.0612 -7.0557 -7.0557 -6.5171 -6.5171 -6.5123 -6.5123 -6.0993 -6.0993 -6.0908 -6.0908 -5.5151 -5.5151 -5.5097 -5.5097 -5.1003 -5.1003 -5.0991 -5.0991 -4.7276 -4.7276 -4.7243 -4.7243 -0.8472 -0.8472 -0.8436 -0.8436 -0.5320 -0.5320 -0.5292 -0.5292 0.5915 0.5915 0.5930 0.5930 0.8048 0.8048 0.8051 0.8051 1.9047 1.9047 1.9165 1.9165 3.5114 3.5114 3.5178 3.5178 4.3053 4.3053 4.3125 4.3125 k = 0.1786 0.5000-0.0000 ( 6862 PWs) bands (ev): -23.8627 -23.8627 -23.8626 -23.8626 -23.7425 -23.7425 -23.7425 -23.7425 -17.8209 -17.8209 -17.8208 -17.8208 -16.8370 -16.8370 -16.8369 -16.8369 -12.9281 -12.9281 -12.9281 -12.9281 -7.9616 -7.9616 -7.9597 -7.9597 -7.0521 -7.0521 -7.0461 -7.0461 -6.5290 -6.5290 -6.5244 -6.5244 -6.0859 -6.0859 -6.0774 -6.0774 -5.5248 -5.5248 -5.5194 -5.5194 -5.0774 -5.0774 -5.0768 -5.0768 -4.7455 -4.7455 -4.7417 -4.7417 -0.8276 -0.8276 -0.8237 -0.8237 -0.5546 -0.5546 -0.5518 -0.5518 0.5994 0.5994 0.6009 0.6009 0.7982 0.7982 0.7984 0.7984 1.9058 1.9058 1.9183 1.9183 3.5153 3.5153 3.5221 3.5221 4.3063 4.3063 4.3142 4.3142 k = 0.1964 0.5000-0.0000 ( 6866 PWs) bands (ev): -23.8622 -23.8622 -23.8622 -23.8622 -23.7429 -23.7429 -23.7429 -23.7429 -17.8211 -17.8211 -17.8210 -17.8210 -16.8368 -16.8368 -16.8368 -16.8368 -12.9279 -12.9279 -12.9279 -12.9279 -7.9679 -7.9679 -7.9660 -7.9660 -7.0442 -7.0442 -7.0378 -7.0378 -6.5377 -6.5377 -6.5334 -6.5334 -6.0738 -6.0738 -6.0652 -6.0652 -5.5335 -5.5335 -5.5280 -5.5280 -5.0577 -5.0577 -5.0576 -5.0576 -4.7619 -4.7619 -4.7574 -4.7574 -0.8078 -0.8078 -0.8035 -0.8035 -0.5773 -0.5773 -0.5745 -0.5745 0.6046 0.6046 0.6062 0.6062 0.7945 0.7945 0.7947 0.7947 1.9064 1.9064 1.9194 1.9194 3.5186 3.5186 3.5256 3.5256 4.3074 4.3074 4.3158 4.3158 k = 0.2143 0.5000-0.0000 ( 6870 PWs) bands (ev): -23.8618 -23.8618 -23.8618 -23.8618 -23.7433 -23.7433 -23.7433 -23.7433 -17.8213 -17.8213 -17.8213 -17.8213 -16.8367 -16.8367 -16.8366 -16.8366 -12.9277 -12.9277 -12.9276 -12.9276 -7.9742 -7.9742 -7.9723 -7.9723 -7.0379 -7.0379 -7.0313 -7.0313 -6.5428 -6.5428 -6.5388 -6.5388 -6.0630 -6.0630 -6.0545 -6.0545 -5.5409 -5.5409 -5.5354 -5.5354 -5.0434 -5.0434 -5.0427 -5.0427 -4.7748 -4.7748 -4.7698 -4.7698 -0.7887 -0.7887 -0.7840 -0.7840 -0.5989 -0.5989 -0.5963 -0.5963 0.6062 0.6062 0.6077 0.6077 0.7946 0.7946 0.7947 0.7947 1.9065 1.9065 1.9199 1.9199 3.5210 3.5210 3.5282 3.5282 4.3085 4.3085 4.3174 4.3174 k = 0.2321 0.5000-0.0000 ( 6864 PWs) bands (ev): -23.8614 -23.8614 -23.8613 -23.8613 -23.7438 -23.7438 -23.7437 -23.7437 -17.8216 -17.8216 -17.8215 -17.8215 -16.8365 -16.8365 -16.8365 -16.8365 -12.9274 -12.9274 -12.9274 -12.9274 -7.9804 -7.9804 -7.9785 -7.9785 -7.0336 -7.0336 -7.0269 -7.0269 -6.5441 -6.5441 -6.5403 -6.5403 -6.0536 -6.0536 -6.0451 -6.0451 -5.5470 -5.5470 -5.5415 -5.5415 -5.0359 -5.0359 -5.0347 -5.0347 -4.7824 -4.7824 -4.7768 -4.7768 -0.7722 -0.7722 -0.7671 -0.7671 -0.6175 -0.6175 -0.6152 -0.6152 0.6036 0.6036 0.6052 0.6052 0.7988 0.7988 0.7989 0.7989 1.9060 1.9060 1.9196 1.9196 3.5224 3.5224 3.5298 3.5298 4.3097 4.3097 4.3188 4.3188 k = 0.2500 0.5000-0.0000 ( 6856 PWs) bands (ev): -23.8609 -23.8609 -23.8609 -23.8609 -23.7442 -23.7442 -23.7442 -23.7442 -17.8218 -17.8218 -17.8218 -17.8218 -16.8364 -16.8364 -16.8363 -16.8363 -12.9272 -12.9272 -12.9272 -12.9272 -7.9864 -7.9864 -7.9844 -7.9844 -7.0316 -7.0316 -7.0248 -7.0248 -6.5415 -6.5415 -6.5377 -6.5377 -6.0456 -6.0456 -6.0372 -6.0372 -5.5518 -5.5518 -5.5463 -5.5463 -5.0366 -5.0366 -5.0353 -5.0353 -4.7828 -4.7828 -4.7772 -4.7772 -0.7615 -0.7615 -0.7561 -0.7561 -0.6298 -0.6298 -0.6278 -0.6278 0.5972 0.5972 0.5987 0.5987 0.8070 0.8070 0.8071 0.8071 1.9049 1.9049 1.9186 1.9186 3.5228 3.5228 3.5302 3.5302 4.3107 4.3107 4.3199 4.3199 k = 0.2679 0.5000-0.0000 ( 6862 PWs) bands (ev): -23.8604 -23.8604 -23.8604 -23.8604 -23.7447 -23.7447 -23.7446 -23.7446 -17.8220 -17.8220 -17.8220 -17.8220 -16.8362 -16.8362 -16.8361 -16.8361 -12.9269 -12.9269 -12.9269 -12.9269 -7.9921 -7.9921 -7.9902 -7.9902 -7.0316 -7.0316 -7.0250 -7.0250 -6.5350 -6.5350 -6.5313 -6.5313 -6.0391 -6.0391 -6.0308 -6.0308 -5.5553 -5.5553 -5.5498 -5.5498 -5.0457 -5.0457 -5.0445 -5.0445 -4.7761 -4.7761 -4.7707 -4.7707 -0.7604 -0.7604 -0.7550 -0.7550 -0.6321 -0.6321 -0.6301 -0.6301 0.5875 0.5875 0.5891 0.5891 0.8185 0.8185 0.8185 0.8185 1.9033 1.9033 1.9169 1.9169 3.5220 3.5220 3.5293 3.5293 4.3115 4.3115 4.3207 4.3207 k = 0.2857 0.5000-0.0000 ( 6870 PWs) bands (ev): -23.8600 -23.8600 -23.8599 -23.8599 -23.7451 -23.7451 -23.7451 -23.7451 -17.8223 -17.8223 -17.8222 -17.8222 -16.8360 -16.8360 -16.8360 -16.8360 -12.9267 -12.9267 -12.9267 -12.9267 -7.9975 -7.9975 -7.9956 -7.9956 -7.0337 -7.0337 -7.0273 -7.0273 -6.5250 -6.5250 -6.5213 -6.5213 -6.0340 -6.0340 -6.0259 -6.0259 -5.5574 -5.5574 -5.5520 -5.5520 -5.0618 -5.0618 -5.0611 -5.0611 -4.7635 -4.7635 -4.7586 -4.7586 -0.7697 -0.7697 -0.7646 -0.7646 -0.6235 -0.6235 -0.6212 -0.6212 0.5755 0.5755 0.5771 0.5771 0.8322 0.8322 0.8322 0.8322 1.9011 1.9011 1.9145 1.9145 3.5202 3.5202 3.5273 3.5273 4.3121 4.3121 4.3210 4.3210 k = 0.3036 0.5000-0.0000 ( 6876 PWs) bands (ev): -23.8595 -23.8595 -23.8595 -23.8595 -23.7455 -23.7455 -23.7455 -23.7455 -17.8225 -17.8225 -17.8225 -17.8225 -16.8359 -16.8359 -16.8358 -16.8358 -12.9265 -12.9265 -12.9264 -12.9264 -8.0025 -8.0025 -8.0007 -8.0007 -7.0375 -7.0375 -7.0313 -7.0313 -6.5119 -6.5119 -6.5081 -6.5081 -6.0303 -6.0303 -6.0223 -6.0223 -5.5582 -5.5582 -5.5528 -5.5528 -5.0831 -5.0831 -5.0829 -5.0829 -4.7471 -4.7471 -4.7426 -4.7426 -0.7857 -0.7857 -0.7812 -0.7812 -0.6075 -0.6075 -0.6050 -0.6050 0.5620 0.5620 0.5636 0.5636 0.8473 0.8473 0.8474 0.8474 1.8985 1.8985 1.9115 1.9115 3.5173 3.5173 3.5242 3.5242 4.3125 4.3125 4.3210 4.3210 k = 0.3214 0.5000-0.0000 ( 6880 PWs) bands (ev): -23.8591 -23.8591 -23.8590 -23.8590 -23.7460 -23.7460 -23.7459 -23.7459 -17.8227 -17.8227 -17.8227 -17.8227 -16.8357 -16.8357 -16.8357 -16.8357 -12.9262 -12.9262 -12.9262 -12.9262 -8.0071 -8.0071 -8.0055 -8.0055 -7.0425 -7.0425 -7.0368 -7.0368 -6.4965 -6.4965 -6.4926 -6.4926 -6.0280 -6.0280 -6.0202 -6.0202 -5.5575 -5.5575 -5.5522 -5.5522 -5.1082 -5.1082 -5.1079 -5.1079 -4.7285 -4.7285 -4.7246 -4.7246 -0.8049 -0.8049 -0.8008 -0.8008 -0.5879 -0.5879 -0.5852 -0.5852 0.5476 0.5476 0.5492 0.5492 0.8631 0.8631 0.8633 0.8633 1.8956 1.8956 1.9080 1.9080 3.5136 3.5136 3.5202 3.5202 4.3126 4.3126 4.3205 4.3205 k = 0.3393 0.5000-0.0000 ( 6884 PWs) bands (ev): -23.8586 -23.8586 -23.8586 -23.8586 -23.7464 -23.7464 -23.7463 -23.7463 -17.8230 -17.8230 -17.8229 -17.8229 -16.8356 -16.8356 -16.8355 -16.8355 -12.9260 -12.9260 -12.9260 -12.9260 -8.0113 -8.0113 -8.0098 -8.0098 -7.0483 -7.0483 -7.0431 -7.0431 -6.4792 -6.4792 -6.4752 -6.4752 -6.0268 -6.0268 -6.0193 -6.0193 -5.5556 -5.5556 -5.5503 -5.5503 -5.1355 -5.1355 -5.1347 -5.1347 -4.7092 -4.7092 -4.7059 -4.7059 -0.8249 -0.8249 -0.8213 -0.8213 -0.5670 -0.5670 -0.5642 -0.5642 0.5329 0.5329 0.5345 0.5345 0.8790 0.8790 0.8793 0.8793 1.8924 1.8924 1.9041 1.9041 3.5093 3.5093 3.5155 3.5155 4.3125 4.3125 4.3197 4.3197 k = 0.3571 0.5000-0.0000 ( 6880 PWs) bands (ev): -23.8582 -23.8582 -23.8582 -23.8582 -23.7467 -23.7467 -23.7467 -23.7467 -17.8232 -17.8232 -17.8231 -17.8231 -16.8355 -16.8355 -16.8354 -16.8354 -12.9258 -12.9258 -12.9258 -12.9258 -8.0151 -8.0151 -8.0137 -8.0137 -7.0546 -7.0546 -7.0499 -7.0499 -6.4608 -6.4608 -6.4568 -6.4568 -6.0268 -6.0268 -6.0196 -6.0196 -5.5523 -5.5523 -5.5472 -5.5472 -5.1636 -5.1636 -5.1624 -5.1624 -4.6902 -4.6902 -4.6873 -4.6873 -0.8446 -0.8446 -0.8414 -0.8414 -0.5459 -0.5459 -0.5432 -0.5432 0.5184 0.5184 0.5200 0.5200 0.8946 0.8946 0.8949 0.8949 1.8891 1.8891 1.9000 1.9000 3.5046 3.5046 3.5103 3.5103 4.3122 4.3122 4.3187 4.3187 k = 0.3750 0.5000-0.0000 ( 6870 PWs) bands (ev): -23.8579 -23.8579 -23.8579 -23.8579 -23.7471 -23.7471 -23.7471 -23.7471 -17.8233 -17.8233 -17.8233 -17.8233 -16.8353 -16.8353 -16.8353 -16.8353 -12.9256 -12.9256 -12.9256 -12.9256 -8.0184 -8.0184 -8.0172 -8.0172 -7.0610 -7.0610 -7.0567 -7.0567 -6.4421 -6.4421 -6.4381 -6.4381 -6.0278 -6.0278 -6.0210 -6.0210 -5.5478 -5.5478 -5.5428 -5.5428 -5.1917 -5.1917 -5.1901 -5.1901 -4.6721 -4.6721 -4.6697 -4.6697 -0.8631 -0.8631 -0.8603 -0.8603 -0.5257 -0.5257 -0.5230 -0.5230 0.5046 0.5046 0.5060 0.5060 0.9093 0.9093 0.9097 0.9097 1.8859 1.8859 1.8958 1.8958 3.4997 3.4997 3.5049 3.5049 4.3118 4.3118 4.3175 4.3175 k = 0.3929 0.5000-0.0000 ( 6868 PWs) bands (ev): -23.8576 -23.8576 -23.8575 -23.8575 -23.7474 -23.7474 -23.7474 -23.7474 -17.8235 -17.8235 -17.8235 -17.8235 -16.8352 -16.8352 -16.8352 -16.8352 -12.9255 -12.9255 -12.9254 -12.9254 -8.0213 -8.0213 -8.0202 -8.0202 -7.0670 -7.0670 -7.0634 -7.0634 -6.4236 -6.4236 -6.4197 -6.4197 -6.0295 -6.0295 -6.0232 -6.0232 -5.5421 -5.5421 -5.5374 -5.5374 -5.2190 -5.2190 -5.2170 -5.2170 -4.6556 -4.6556 -4.6536 -4.6536 -0.8800 -0.8800 -0.8775 -0.8775 -0.5068 -0.5068 -0.5044 -0.5044 0.4916 0.4916 0.4930 0.4930 0.9228 0.9228 0.9233 0.9233 1.8828 1.8828 1.8916 1.8916 3.4950 3.4950 3.4995 3.4995 4.3113 4.3113 4.3162 4.3162 k = 0.4107 0.5000-0.0000 ( 6876 PWs) bands (ev): -23.8573 -23.8573 -23.8573 -23.8573 -23.7477 -23.7477 -23.7477 -23.7477 -17.8236 -17.8236 -17.8236 -17.8236 -16.8351 -16.8351 -16.8351 -16.8351 -12.9253 -12.9253 -12.9253 -12.9253 -8.0237 -8.0237 -8.0228 -8.0228 -7.0725 -7.0725 -7.0695 -7.0695 -6.4061 -6.4061 -6.4025 -6.4025 -6.0317 -6.0317 -6.0261 -6.0261 -5.5355 -5.5355 -5.5311 -5.5311 -5.2446 -5.2446 -5.2425 -5.2425 -4.6410 -4.6410 -4.6393 -4.6393 -0.8948 -0.8948 -0.8927 -0.8927 -0.4899 -0.4899 -0.4877 -0.4877 0.4800 0.4800 0.4812 0.4812 0.9349 0.9349 0.9353 0.9353 1.8800 1.8800 1.8875 1.8875 3.4905 3.4905 3.4944 3.4944 4.3109 4.3109 4.3150 4.3150 k = 0.4286 0.5000-0.0000 ( 6880 PWs) bands (ev): -23.8570 -23.8570 -23.8570 -23.8570 -23.7479 -23.7479 -23.7479 -23.7479 -17.8237 -17.8237 -17.8237 -17.8237 -16.8350 -16.8350 -16.8350 -16.8350 -12.9252 -12.9252 -12.9252 -12.9252 -8.0257 -8.0257 -8.0249 -8.0249 -7.0773 -7.0773 -7.0748 -7.0748 -6.3904 -6.3904 -6.3872 -6.3872 -6.0341 -6.0341 -6.0293 -6.0293 -5.5284 -5.5284 -5.5244 -5.5244 -5.2678 -5.2678 -5.2657 -5.2657 -4.6286 -4.6286 -4.6273 -4.6273 -0.9072 -0.9072 -0.9056 -0.9056 -0.4753 -0.4753 -0.4735 -0.4735 0.4700 0.4700 0.4711 0.4711 0.9452 0.9452 0.9456 0.9456 1.8777 1.8777 1.8838 1.8838 3.4866 3.4866 3.4898 3.4898 4.3105 4.3105 4.3137 4.3137 k = 0.4464 0.5000-0.0000 ( 6878 PWs) bands (ev): -23.8568 -23.8568 -23.8568 -23.8568 -23.7481 -23.7481 -23.7481 -23.7481 -17.8238 -17.8238 -17.8238 -17.8238 -16.8350 -16.8350 -16.8350 -16.8350 -12.9251 -12.9251 -12.9251 -12.9251 -8.0272 -8.0272 -8.0266 -8.0266 -7.0811 -7.0811 -7.0792 -7.0792 -6.3770 -6.3770 -6.3744 -6.3744 -6.0364 -6.0364 -6.0326 -6.0326 -5.5212 -5.5212 -5.5179 -5.5179 -5.2877 -5.2877 -5.2857 -5.2857 -4.6187 -4.6187 -4.6177 -4.6177 -0.9171 -0.9171 -0.9158 -0.9158 -0.4635 -0.4635 -0.4621 -0.4621 0.4620 0.4620 0.4628 0.4628 0.9535 0.9535 0.9538 0.9538 1.8759 1.8759 1.8806 1.8806 3.4834 3.4834 3.4859 3.4859 4.3102 4.3102 4.3126 4.3126 k = 0.4643 0.5000-0.0000 ( 6874 PWs) bands (ev): -23.8567 -23.8567 -23.8567 -23.8567 -23.7482 -23.7482 -23.7482 -23.7482 -17.8239 -17.8239 -17.8239 -17.8239 -16.8349 -16.8349 -16.8349 -16.8349 -12.9250 -12.9250 -12.9250 -12.9250 -8.0282 -8.0282 -8.0278 -8.0278 -7.0838 -7.0838 -7.0825 -7.0825 -6.3667 -6.3667 -6.3649 -6.3649 -6.0381 -6.0381 -6.0355 -6.0355 -5.5148 -5.5148 -5.5123 -5.5123 -5.3030 -5.3030 -5.3015 -5.3015 -4.6114 -4.6114 -4.6108 -4.6108 -0.9242 -0.9242 -0.9233 -0.9233 -0.4547 -0.4547 -0.4538 -0.4538 0.4561 0.4561 0.4566 0.4566 0.9596 0.9596 0.9598 0.9598 1.8748 1.8748 1.8780 1.8780 3.4812 3.4812 3.4829 3.4829 4.3101 4.3101 4.3117 4.3117 k = 0.4821 0.5000-0.0000 ( 6876 PWs) bands (ev): -23.8566 -23.8566 -23.8566 -23.8566 -23.7483 -23.7483 -23.7483 -23.7483 -17.8239 -17.8239 -17.8239 -17.8239 -16.8349 -16.8349 -16.8349 -16.8349 -12.9250 -12.9250 -12.9250 -12.9250 -8.0288 -8.0288 -8.0286 -8.0286 -7.0853 -7.0853 -7.0847 -7.0847 -6.3601 -6.3601 -6.3591 -6.3591 -6.0390 -6.0390 -6.0377 -6.0377 -5.5100 -5.5100 -5.5087 -5.5087 -5.3127 -5.3127 -5.3119 -5.3119 -4.6069 -4.6069 -4.6066 -4.6066 -0.9284 -0.9284 -0.9280 -0.9280 -0.4493 -0.4493 -0.4488 -0.4488 0.4525 0.4525 0.4528 0.4528 0.9633 0.9633 0.9634 0.9634 1.8745 1.8745 1.8761 1.8761 3.4800 3.4800 3.4808 3.4808 4.3102 4.3102 4.3110 4.3110 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -23.8566 -23.8566 -23.8566 -23.8566 -23.7483 -23.7483 -23.7483 -23.7483 -17.8239 -17.8239 -17.8239 -17.8239 -16.8349 -16.8349 -16.8349 -16.8349 -12.9250 -12.9250 -12.9250 -12.9250 -8.0289 -8.0289 -8.0289 -8.0289 -7.0856 -7.0856 -7.0856 -7.0856 -6.3575 -6.3575 -6.3575 -6.3575 -6.0389 -6.0389 -6.0389 -6.0389 -5.5078 -5.5078 -5.5078 -5.5078 -5.3158 -5.3158 -5.3158 -5.3158 -4.6053 -4.6053 -4.6053 -4.6053 -0.9297 -0.9297 -0.9297 -0.9297 -0.4473 -0.4473 -0.4473 -0.4473 0.4514 0.4514 0.4514 0.4514 0.9646 0.9646 0.9646 0.9646 1.8749 1.8749 1.8749 1.8749 3.4798 3.4798 3.4798 3.4798 4.3105 4.3105 4.3105 4.3105 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -23.8566 -23.8566 -23.8566 -23.8566 -23.7483 -23.7483 -23.7483 -23.7483 -17.8239 -17.8239 -17.8239 -17.8239 -16.8349 -16.8349 -16.8349 -16.8349 -12.9250 -12.9250 -12.9250 -12.9250 -8.0289 -8.0289 -8.0289 -8.0289 -7.0856 -7.0856 -7.0856 -7.0856 -6.3575 -6.3575 -6.3575 -6.3575 -6.0389 -6.0389 -6.0389 -6.0389 -5.5078 -5.5078 -5.5078 -5.5078 -5.3158 -5.3158 -5.3158 -5.3158 -4.6053 -4.6053 -4.6053 -4.6053 -0.9297 -0.9297 -0.9297 -0.9297 -0.4473 -0.4473 -0.4473 -0.4473 0.4514 0.4514 0.4514 0.4514 0.9646 0.9646 0.9646 0.9646 1.8749 1.8749 1.8749 1.8749 3.4798 3.4798 3.4798 3.4798 4.3105 4.3105 4.3105 4.3105 k = 0.4872 0.4872-0.0000 ( 6872 PWs) bands (ev): -23.8568 -23.8568 -23.8564 -23.8564 -23.7483 -23.7483 -23.7483 -23.7483 -17.8251 -17.8251 -17.8227 -17.8227 -16.8349 -16.8349 -16.8349 -16.8349 -12.9272 -12.9272 -12.9227 -12.9227 -8.0290 -8.0290 -8.0284 -8.0284 -7.0864 -7.0864 -7.0836 -7.0836 -6.3602 -6.3602 -6.3591 -6.3591 -6.0397 -6.0397 -6.0369 -6.0369 -5.5107 -5.5107 -5.5081 -5.5081 -5.3126 -5.3126 -5.3117 -5.3117 -4.6098 -4.6098 -4.6039 -4.6039 -0.9310 -0.9310 -0.9253 -0.9253 -0.4494 -0.4494 -0.4487 -0.4487 0.4516 0.4516 0.4538 0.4538 0.9601 0.9601 0.9665 0.9665 1.8725 1.8725 1.8781 1.8781 3.4769 3.4769 3.4840 3.4840 4.3077 4.3077 4.3135 4.3135 k = 0.4744 0.4744-0.0000 ( 6882 PWs) bands (ev): -23.8575 -23.8575 -23.8559 -23.8559 -23.7483 -23.7483 -23.7482 -23.7482 -17.8286 -17.8286 -17.8191 -17.8191 -16.8349 -16.8349 -16.8349 -16.8349 -12.9340 -12.9340 -12.9161 -12.9161 -8.0291 -8.0291 -8.0268 -8.0268 -7.0884 -7.0884 -7.0778 -7.0778 -6.3673 -6.3673 -6.3648 -6.3648 -6.0416 -6.0416 -6.0318 -6.0318 -5.5184 -5.5184 -5.5095 -5.5095 -5.3026 -5.3026 -5.3007 -5.3007 -4.6231 -4.6231 -4.5994 -4.5994 -0.9348 -0.9348 -0.9124 -0.9124 -0.4556 -0.4556 -0.4533 -0.4533 0.4520 0.4520 0.4609 0.4609 0.9468 0.9468 0.9724 0.9724 1.8658 1.8658 1.8871 1.8871 3.4682 3.4682 3.4960 3.4960 4.2996 4.2996 4.3222 4.3222 k = 0.4615 0.4615-0.0000 ( 6884 PWs) bands (ev): -23.8587 -23.8587 -23.8550 -23.8550 -23.7482 -23.7482 -23.7479 -23.7479 -17.8344 -17.8344 -17.8132 -17.8132 -16.8350 -16.8350 -16.8349 -16.8349 -12.9452 -12.9452 -12.9050 -12.9050 -8.0293 -8.0293 -8.0242 -8.0242 -7.0919 -7.0919 -7.0681 -7.0681 -6.3785 -6.3785 -6.3740 -6.3740 -6.0448 -6.0448 -6.0238 -6.0238 -5.5299 -5.5299 -5.5117 -5.5117 -5.2869 -5.2869 -5.2830 -5.2830 -4.6449 -4.6449 -4.5921 -4.5921 -0.9411 -0.9411 -0.8910 -0.8910 -0.4658 -0.4658 -0.4608 -0.4608 0.4526 0.4526 0.4725 0.4725 0.9252 0.9252 0.9820 0.9820 1.8554 1.8554 1.9015 1.9015 3.4541 3.4541 3.5158 3.5158 4.2865 4.2865 4.3364 4.3364 k = 0.4487 0.4487-0.0000 ( 6870 PWs) bands (ev): -23.8603 -23.8603 -23.8537 -23.8537 -23.7481 -23.7481 -23.7477 -23.7477 -17.8425 -17.8425 -17.8048 -17.8048 -16.8351 -16.8351 -16.8349 -16.8349 -12.9608 -12.9608 -12.8895 -12.8895 -8.0294 -8.0294 -8.0205 -8.0205 -7.0968 -7.0968 -7.0550 -7.0550 -6.3930 -6.3930 -6.3862 -6.3862 -6.0492 -6.0492 -6.0136 -6.0136 -5.5440 -5.5440 -5.5149 -5.5149 -5.2669 -5.2669 -5.2589 -5.2589 -4.6749 -4.6749 -4.5819 -4.5819 -0.9498 -0.9498 -0.8615 -0.8615 -0.4798 -0.4798 -0.4710 -0.4710 0.4529 0.4529 0.4884 0.4884 0.8961 0.8961 0.9953 0.9953 1.8417 1.8417 1.9207 1.9207 3.4352 3.4352 3.5427 3.5427 4.2687 4.2687 4.3554 4.3554 k = 0.4359 0.4359-0.0000 ( 6872 PWs) bands (ev): -23.8624 -23.8624 -23.8522 -23.8522 -23.7480 -23.7480 -23.7473 -23.7473 -17.8527 -17.8527 -17.7941 -17.7941 -16.8352 -16.8352 -16.8350 -16.8350 -12.9807 -12.9807 -12.8699 -12.8699 -8.0292 -8.0292 -8.0158 -8.0158 -7.1031 -7.1031 -7.0388 -7.0388 -6.4104 -6.4104 -6.4008 -6.4008 -6.0549 -6.0549 -6.0017 -6.0017 -5.5598 -5.5598 -5.5189 -5.5189 -5.2433 -5.2433 -5.2291 -5.2291 -4.7124 -4.7124 -4.5688 -4.5688 -0.9606 -0.9606 -0.8244 -0.8244 -0.4974 -0.4974 -0.4835 -0.4835 0.4524 0.4524 0.5083 0.5083 0.8604 0.8604 1.0120 1.0120 1.8260 1.8260 1.9437 1.9437 3.4120 3.4120 3.5760 3.5760 4.2468 4.2468 4.3786 4.3786 k = 0.4231 0.4231-0.0000 ( 6876 PWs) bands (ev): -23.8648 -23.8648 -23.8502 -23.8502 -23.7479 -23.7479 -23.7469 -23.7469 -17.8650 -17.8650 -17.7811 -17.7811 -16.8354 -16.8354 -16.8350 -16.8350 -13.0048 -13.0048 -12.8461 -12.8461 -8.0287 -8.0287 -8.0101 -8.0101 -7.1108 -7.1108 -7.0197 -7.0197 -6.4298 -6.4298 -6.4173 -6.4173 -6.0618 -6.0618 -5.9888 -5.9888 -5.5768 -5.5768 -5.5237 -5.5237 -5.2167 -5.2167 -5.1943 -5.1943 -4.7569 -4.7569 -4.5530 -4.5530 -0.9736 -0.9736 -0.7803 -0.7803 -0.5184 -0.5184 -0.4980 -0.4980 0.4504 0.4504 0.5318 0.5318 0.8189 0.8189 1.0319 1.0319 1.8092 1.8092 1.9698 1.9698 3.3851 3.3851 3.6148 3.6148 4.2212 4.2212 4.4055 4.4055 k = 0.4103 0.4103-0.0000 ( 6866 PWs) bands (ev): -23.8676 -23.8676 -23.8480 -23.8480 -23.7477 -23.7477 -23.7465 -23.7465 -17.8792 -17.8792 -17.7658 -17.7658 -16.8355 -16.8355 -16.8351 -16.8351 -13.0329 -13.0329 -12.8183 -12.8183 -8.0277 -8.0277 -8.0034 -8.0034 -7.1200 -7.1200 -6.9984 -6.9984 -6.4510 -6.4510 -6.4350 -6.4350 -6.0700 -6.0700 -5.9753 -5.9753 -5.5944 -5.5944 -5.5294 -5.5294 -5.1874 -5.1874 -5.1558 -5.1558 -4.8070 -4.8070 -4.5345 -4.5345 -0.9883 -0.9883 -0.7296 -0.7296 -0.5426 -0.5426 -0.5142 -0.5142 0.4465 0.4465 0.5585 0.5585 0.7725 0.7725 1.0548 1.0548 1.7926 1.7926 1.9981 1.9981 3.3553 3.3553 3.6584 3.6584 4.1925 4.1925 4.4354 4.4354 k = 0.3974 0.3974-0.0000 ( 6870 PWs) bands (ev): -23.8708 -23.8708 -23.8454 -23.8454 -23.7475 -23.7475 -23.7461 -23.7461 -17.8953 -17.8953 -17.7483 -17.7483 -16.8357 -16.8357 -16.8351 -16.8351 -13.0648 -13.0648 -12.7867 -12.7867 -8.0259 -8.0259 -7.9957 -7.9957 -7.1305 -7.1305 -6.9752 -6.9752 -6.4733 -6.4733 -6.4534 -6.4534 -6.0793 -6.0793 -5.9616 -5.9616 -5.6124 -5.6124 -5.5358 -5.5358 -5.1555 -5.1555 -5.1152 -5.1152 -4.8611 -4.8611 -4.5135 -4.5135 -1.0048 -1.0048 -0.6730 -0.6730 -0.5695 -0.5695 -0.5316 -0.5316 0.4397 0.4397 0.5880 0.5880 0.7220 0.7220 1.0803 1.0803 1.7773 1.7773 2.0279 2.0279 3.3228 3.3228 3.7057 3.7057 4.1610 4.1610 4.4676 4.4676 k = 0.3846 0.3846-0.0000 ( 6872 PWs) bands (ev): -23.8743 -23.8743 -23.8426 -23.8426 -23.7474 -23.7474 -23.7456 -23.7456 -17.9130 -17.9130 -17.7286 -17.7286 -16.8358 -16.8358 -16.8352 -16.8352 -13.1003 -13.1003 -12.7515 -12.7515 -8.0233 -8.0233 -7.9871 -7.9871 -7.1425 -7.1425 -6.9507 -6.9507 -6.4965 -6.4965 -6.4719 -6.4719 -6.0898 -6.0898 -5.9479 -5.9479 -5.6305 -5.6305 -5.5428 -5.5428 -5.1210 -5.1210 -5.0776 -5.0776 -4.9140 -4.9140 -4.4900 -4.4900 -1.0226 -1.0226 -0.6110 -0.6110 -0.5991 -0.5991 -0.5500 -0.5500 0.4293 0.4293 0.6198 0.6198 0.6681 0.6681 1.1083 1.1083 1.7646 1.7646 2.0589 2.0589 3.2884 3.2884 3.7562 3.7562 4.1272 4.1272 4.5018 4.5018 k = 0.3718 0.3718-0.0000 ( 6868 PWs) bands (ev): -23.8780 -23.8780 -23.8395 -23.8395 -23.7471 -23.7471 -23.7451 -23.7451 -17.9323 -17.9323 -17.7068 -17.7068 -16.8360 -16.8360 -16.8353 -16.8353 -13.1392 -13.1392 -12.7128 -12.7128 -8.0197 -8.0197 -7.9775 -7.9775 -7.1558 -7.1558 -6.9255 -6.9255 -6.5202 -6.5202 -6.4903 -6.4903 -6.1014 -6.1014 -5.9345 -5.9345 -5.6486 -5.6486 -5.5505 -5.5505 -5.0839 -5.0839 -5.0642 -5.0642 -4.9443 -4.9443 -4.4641 -4.4641 -1.0416 -1.0416 -0.6310 -0.6310 -0.5694 -0.5694 -0.5442 -0.5442 0.4147 0.4147 0.6100 0.6100 0.6550 0.6550 1.1385 1.1385 1.7553 1.7553 2.0904 2.0904 3.2522 3.2522 3.8088 3.8088 4.0913 4.0913 4.5346 4.5346 k = 0.3590 0.3590-0.0000 ( 6860 PWs) bands (ev): -23.8821 -23.8821 -23.8361 -23.8361 -23.7469 -23.7469 -23.7446 -23.7446 -17.9530 -17.9530 -17.6829 -17.6829 -16.8362 -16.8362 -16.8353 -16.8353 -13.1814 -13.1814 -12.6710 -12.6710 -8.0151 -8.0151 -7.9670 -7.9670 -7.1704 -7.1704 -6.9000 -6.9000 -6.5443 -6.5443 -6.5081 -6.5081 -6.1142 -6.1142 -5.9215 -5.9215 -5.6664 -5.6664 -5.5588 -5.5588 -5.1039 -5.1039 -5.0442 -5.0442 -4.9231 -4.9231 -4.4360 -4.4360 -1.0617 -1.0617 -0.6649 -0.6649 -0.5889 -0.5889 -0.4734 -0.4734 0.3953 0.3953 0.5506 0.5506 0.6910 0.6910 1.1706 1.1706 1.7505 1.7505 2.1221 2.1221 3.2146 3.2146 3.8625 3.8625 4.0536 4.0536 4.4795 4.4795 k = 0.3462 0.3462-0.0000 ( 6862 PWs) bands (ev): -23.8863 -23.8863 -23.8325 -23.8325 -23.7467 -23.7467 -23.7442 -23.7442 -17.9748 -17.9748 -17.6571 -17.6571 -16.8363 -16.8363 -16.8354 -16.8354 -13.2265 -13.2265 -12.6261 -12.6261 -8.0092 -8.0092 -7.9556 -7.9556 -7.1863 -7.1863 -6.8748 -6.8748 -6.5685 -6.5685 -6.5253 -6.5253 -6.1280 -6.1280 -5.9090 -5.9090 -5.6838 -5.6838 -5.5677 -5.5677 -5.1701 -5.1701 -5.0019 -5.0019 -4.8763 -4.8763 -4.4059 -4.4059 -1.0826 -1.0826 -0.7006 -0.7006 -0.6088 -0.6088 -0.3989 -0.3989 0.3707 0.3707 0.4888 0.4888 0.7289 0.7289 1.2044 1.2044 1.7506 1.7506 2.1537 2.1537 3.1759 3.1759 3.9164 3.9164 4.0144 4.0144 4.4195 4.4195 k = 0.3333 0.3333-0.0000 ( 6851 PWs) bands (ev): -23.8907 -23.8907 -23.8286 -23.8286 -23.7464 -23.7464 -23.7438 -23.7438 -17.9977 -17.9977 -17.6294 -17.6294 -16.8365 -16.8365 -16.8355 -16.8355 -13.2743 -13.2743 -12.5785 -12.5785 -8.0021 -8.0021 -7.9433 -7.9433 -7.2032 -7.2032 -6.8505 -6.8505 -6.5927 -6.5927 -6.5415 -6.5415 -6.1428 -6.1428 -5.8971 -5.8971 -5.7006 -5.7006 -5.5769 -5.5769 -5.2450 -5.2450 -4.9570 -4.9570 -4.8219 -4.8219 -4.3739 -4.3739 -1.1042 -1.1042 -0.7380 -0.7380 -0.6287 -0.6287 -0.3213 -0.3213 0.3406 0.3406 0.4252 0.4252 0.7683 0.7683 1.2398 1.2398 1.7563 1.7563 2.1849 2.1849 3.1363 3.1363 3.9693 3.9693 3.9740 3.9740 4.3577 4.3577 k = 0.3205 0.3205-0.0000 ( 6845 PWs) bands (ev): -23.8953 -23.8953 -23.8246 -23.8246 -23.7461 -23.7461 -23.7433 -23.7433 -18.0214 -18.0214 -17.5999 -17.5999 -16.8366 -16.8366 -16.8356 -16.8356 -13.3246 -13.3246 -12.5284 -12.5284 -7.9937 -7.9937 -7.9302 -7.9302 -7.2211 -7.2211 -6.8275 -6.8275 -6.6167 -6.6167 -6.5568 -6.5568 -6.1586 -6.1586 -5.8857 -5.8857 -5.7167 -5.7167 -5.5866 -5.5866 -5.3241 -5.3241 -4.9093 -4.9093 -4.7639 -4.7639 -4.3401 -4.3401 -1.1262 -1.1262 -0.7766 -0.7766 -0.6485 -0.6485 -0.2409 -0.2409 0.3050 0.3050 0.3601 0.3601 0.8090 0.8090 1.2766 1.2766 1.7675 1.7675 2.2156 2.2156 3.0960 3.0960 3.9322 3.9322 4.0197 4.0197 4.2942 4.2942 k = 0.3077 0.3077-0.0000 ( 6849 PWs) bands (ev): -23.9000 -23.9000 -23.8204 -23.8204 -23.7458 -23.7458 -23.7430 -23.7430 -18.0459 -18.0459 -17.5687 -17.5687 -16.8368 -16.8368 -16.8357 -16.8357 -13.3770 -13.3770 -12.4761 -12.4761 -7.9840 -7.9840 -7.9164 -7.9164 -7.2398 -7.2398 -6.8064 -6.8064 -6.6404 -6.6404 -6.5711 -6.5711 -6.1753 -6.1753 -5.8750 -5.8750 -5.7318 -5.7318 -5.5965 -5.5965 -5.4057 -5.4057 -4.8589 -4.8589 -4.7037 -4.7037 -4.3048 -4.3048 -1.1486 -1.1486 -0.8165 -0.8165 -0.6681 -0.6681 -0.1584 -0.1584 0.2641 0.2641 0.2939 0.2939 0.8508 0.8508 1.3145 1.3145 1.7843 1.7843 2.2454 2.2454 3.0551 3.0551 3.8895 3.8895 4.0654 4.0654 4.2294 4.2294 k = 0.2949 0.2949-0.0000 ( 6855 PWs) bands (ev): -23.9048 -23.9048 -23.8160 -23.8160 -23.7455 -23.7455 -23.7426 -23.7426 -18.0708 -18.0708 -17.5359 -17.5359 -16.8369 -16.8369 -16.8358 -16.8358 -13.4314 -13.4314 -12.4219 -12.4219 -7.9729 -7.9729 -7.9018 -7.9018 -7.2592 -7.2592 -6.7876 -6.7876 -6.6637 -6.6637 -6.5845 -6.5845 -6.1929 -6.1929 -5.8650 -5.8650 -5.7457 -5.7457 -5.6067 -5.6067 -5.4890 -5.4890 -4.8059 -4.8059 -4.6421 -4.6421 -4.2681 -4.2681 -1.1712 -1.1712 -0.8572 -0.8572 -0.6873 -0.6873 -0.0743 -0.0743 0.2180 0.2180 0.2274 0.2274 0.8935 0.8935 1.3534 1.3534 1.8064 1.8064 2.2743 2.2743 3.0137 3.0137 3.8460 3.8460 4.1037 4.1037 4.1632 4.1632 k = 0.2821 0.2821-0.0000 ( 6861 PWs) bands (ev): -23.9096 -23.9096 -23.8115 -23.8115 -23.7452 -23.7452 -23.7423 -23.7423 -18.0960 -18.0960 -17.5017 -17.5017 -16.8370 -16.8370 -16.8359 -16.8359 -13.4874 -13.4874 -12.3659 -12.3659 -7.9606 -7.9606 -7.8865 -7.8865 -7.2791 -7.2791 -6.7714 -6.7714 -6.6865 -6.6865 -6.5969 -6.5969 -6.2113 -6.2113 -5.8556 -5.8556 -5.7583 -5.7583 -5.6171 -5.6171 -5.5732 -5.5732 -4.7502 -4.7502 -4.5794 -4.5794 -4.2302 -4.2302 -1.1938 -1.1938 -0.8988 -0.8988 -0.7061 -0.7061 0.0101 0.0101 0.1606 0.1606 0.1682 0.1682 0.9370 0.9370 1.3933 1.3933 1.8336 1.8336 2.3020 2.3020 2.9719 2.9719 3.8018 3.8018 4.0958 4.0958 4.1308 4.1308 k = 0.2692 0.2692-0.0000 ( 6861 PWs) bands (ev): -23.9145 -23.9145 -23.8070 -23.8070 -23.7449 -23.7449 -23.7420 -23.7420 -18.1214 -18.1214 -17.4662 -17.4662 -16.8371 -16.8371 -16.8360 -16.8360 -13.5447 -13.5447 -12.3086 -12.3086 -7.9469 -7.9469 -7.8707 -7.8707 -7.2993 -7.2993 -6.7583 -6.7583 -6.7087 -6.7087 -6.6086 -6.6086 -6.2304 -6.2304 -5.8468 -5.8468 -5.7694 -5.7694 -5.6579 -5.6579 -5.6274 -5.6274 -4.6920 -4.6920 -4.5159 -4.5159 -4.1912 -4.1912 -1.2165 -1.2165 -0.9410 -0.9410 -0.7243 -0.7243 0.0697 0.0697 0.1132 0.1132 0.1208 0.1208 0.9812 0.9812 1.4338 1.4338 1.8655 1.8655 2.3285 2.3285 2.9298 2.9298 3.7569 3.7569 4.0274 4.0274 4.1426 4.1426 k = 0.2564 0.2564-0.0000 ( 6861 PWs) bands (ev): -23.9194 -23.9194 -23.8023 -23.8023 -23.7446 -23.7446 -23.7417 -23.7417 -18.1468 -18.1468 -17.4295 -17.4295 -16.8372 -16.8372 -16.8361 -16.8361 -13.6031 -13.6031 -12.2502 -12.2502 -7.9319 -7.9319 -7.8542 -7.8542 -7.3197 -7.3197 -6.7486 -6.7486 -6.7301 -6.7301 -6.6196 -6.6196 -6.2502 -6.2502 -5.8387 -5.8387 -5.7789 -5.7789 -5.7421 -5.7421 -5.6380 -5.6380 -4.6315 -4.6315 -4.4520 -4.4520 -4.1514 -4.1514 -1.2391 -1.2391 -0.9835 -0.9835 -0.7419 -0.7419 0.0160 0.0160 0.0554 0.0554 0.1944 0.1944 1.0259 1.0259 1.4750 1.4750 1.9015 1.9015 2.3535 2.3535 2.8875 2.8875 3.7116 3.7116 3.9581 3.9581 4.1363 4.1363 k = 0.2436 0.2436-0.0000 ( 6873 PWs) bands (ev): -23.9243 -23.9243 -23.7977 -23.7977 -23.7443 -23.7443 -23.7415 -23.7415 -18.1720 -18.1720 -17.3918 -17.3918 -16.8373 -16.8373 -16.8362 -16.8362 -13.6623 -13.6623 -12.1911 -12.1911 -7.9157 -7.9157 -7.8373 -7.8373 -7.3401 -7.3401 -6.7517 -6.7517 -6.7414 -6.7414 -6.6301 -6.6301 -6.2705 -6.2705 -5.8332 -5.8332 -5.8237 -5.8237 -5.7866 -5.7866 -5.6484 -5.6484 -4.5688 -4.5688 -4.3880 -4.3880 -4.1110 -4.1110 -1.2615 -1.2615 -1.0263 -1.0263 -0.7589 -0.7589 -0.0511 -0.0511 -0.0055 -0.0055 0.2826 0.2826 1.0710 1.0710 1.5167 1.5167 1.9413 1.9413 2.3769 2.3769 2.8450 2.8450 3.6659 3.6659 3.8880 3.8880 4.1121 4.1121 k = 0.2308 0.2308-0.0000 ( 6863 PWs) bands (ev): -23.9290 -23.9290 -23.7930 -23.7930 -23.7440 -23.7440 -23.7413 -23.7413 -18.1969 -18.1969 -17.3533 -17.3533 -16.8373 -16.8373 -16.8363 -16.8363 -13.7219 -13.7219 -12.1315 -12.1315 -7.8984 -7.8984 -7.8200 -7.8200 -7.3604 -7.3604 -6.7715 -6.7715 -6.7388 -6.7388 -6.6403 -6.6403 -6.2912 -6.2912 -5.9082 -5.9082 -5.8238 -5.8238 -5.7925 -5.7925 -5.6588 -5.6588 -4.5041 -4.5041 -4.3240 -4.3240 -4.0702 -4.0702 -1.2836 -1.2836 -1.0692 -1.0692 -0.7752 -0.7752 -0.1189 -0.1189 -0.0688 -0.0688 0.3725 0.3725 1.1165 1.1165 1.5588 1.5588 1.9843 1.9843 2.3984 2.3984 2.8023 2.8023 3.6200 3.6200 3.8175 3.8175 4.0732 4.0732 k = 0.2179 0.2179-0.0000 ( 6871 PWs) bands (ev): -23.9337 -23.9337 -23.7883 -23.7883 -23.7437 -23.7437 -23.7412 -23.7412 -18.2213 -18.2213 -17.3142 -17.3142 -16.8374 -16.8374 -16.8364 -16.8364 -13.7816 -13.7816 -12.0718 -12.0718 -7.8800 -7.8800 -7.8023 -7.8023 -7.3804 -7.3804 -6.7907 -6.7907 -6.7394 -6.7394 -6.6504 -6.6504 -6.3123 -6.3123 -5.9884 -5.9884 -5.8176 -5.8176 -5.7966 -5.7966 -5.6689 -5.6689 -4.4378 -4.4378 -4.2605 -4.2605 -4.0292 -4.0292 -1.3055 -1.3055 -1.1119 -1.1119 -0.7907 -0.7907 -0.1866 -0.1866 -0.1339 -0.1339 0.4631 0.4631 1.1623 1.1623 1.6012 1.6012 2.0303 2.0303 2.4179 2.4179 2.7596 2.7596 3.5739 3.5739 3.7467 3.7467 4.0239 4.0239 k = 0.2051 0.2051-0.0000 ( 6861 PWs) bands (ev): -23.9383 -23.9383 -23.7838 -23.7838 -23.7434 -23.7434 -23.7410 -23.7410 -18.2451 -18.2451 -17.2746 -17.2746 -16.8374 -16.8374 -16.8364 -16.8364 -13.8411 -13.8411 -12.0124 -12.0124 -7.8606 -7.8606 -7.7844 -7.7844 -7.4000 -7.4000 -6.8090 -6.8090 -6.7433 -6.7433 -6.6608 -6.6608 -6.3336 -6.3336 -6.0660 -6.0660 -5.8122 -5.8122 -5.7988 -5.7988 -5.6788 -5.6788 -4.3701 -4.3701 -4.1975 -4.1975 -3.9882 -3.9882 -1.3271 -1.3271 -1.1542 -1.1542 -0.8054 -0.8054 -0.2535 -0.2535 -0.2003 -0.2003 0.5542 0.5542 1.2082 1.2082 1.6437 1.6437 2.0789 2.0789 2.4352 2.4352 2.7167 2.7167 3.5279 3.5279 3.6760 3.6760 3.9679 3.9679 k = 0.1923 0.1923-0.0000 ( 6881 PWs) bands (ev): -23.9428 -23.9428 -23.7793 -23.7793 -23.7431 -23.7431 -23.7409 -23.7409 -18.2682 -18.2682 -17.2349 -17.2349 -16.8374 -16.8374 -16.8365 -16.8365 -13.9001 -13.9001 -11.9536 -11.9536 -7.8404 -7.8404 -7.7664 -7.7664 -7.4192 -7.4192 -6.8265 -6.8265 -6.7504 -6.7504 -6.6718 -6.6718 -6.3550 -6.3550 -6.1403 -6.1403 -5.8081 -5.8081 -5.7987 -5.7987 -5.6884 -5.6884 -4.3014 -4.3014 -4.1355 -4.1355 -3.9475 -3.9475 -1.3484 -1.3484 -1.1960 -1.1960 -0.8193 -0.8193 -0.3193 -0.3193 -0.2673 -0.2673 0.6456 0.6456 1.2542 1.2542 1.6862 1.6862 2.1295 2.1295 2.4499 2.4499 2.6739 2.6739 3.4820 3.4820 3.6056 3.6056 3.9079 3.9079 k = 0.1795 0.1795-0.0000 ( 6883 PWs) bands (ev): -23.9470 -23.9470 -23.7749 -23.7749 -23.7428 -23.7428 -23.7408 -23.7408 -18.2904 -18.2904 -17.1952 -17.1952 -16.8374 -16.8374 -16.8366 -16.8366 -13.9582 -13.9582 -11.8957 -11.8957 -7.8194 -7.8194 -7.7484 -7.7484 -7.4377 -7.4377 -6.8430 -6.8430 -6.7604 -6.7604 -6.6840 -6.6840 -6.3763 -6.3763 -6.2105 -6.2105 -5.8054 -5.8054 -5.7963 -5.7963 -5.6976 -5.6976 -4.2320 -4.2320 -4.0747 -4.0747 -3.9074 -3.9074 -1.3694 -1.3694 -1.2371 -1.2371 -0.8324 -0.8324 -0.3838 -0.3838 -0.3343 -0.3343 0.7369 0.7369 1.3002 1.3002 1.7285 1.7285 2.1820 2.1820 2.4616 2.4616 2.6311 2.6311 3.4363 3.4363 3.5361 3.5361 3.8457 3.8457 k = 0.1667 0.1667-0.0000 ( 6893 PWs) bands (ev): -23.9511 -23.9511 -23.7707 -23.7707 -23.7425 -23.7425 -23.7407 -23.7407 -18.3116 -18.3116 -17.1559 -17.1559 -16.8374 -16.8374 -16.8367 -16.8367 -14.0151 -14.0151 -11.8392 -11.8392 -7.7978 -7.7978 -7.7305 -7.7305 -7.4555 -7.4555 -6.8585 -6.8585 -6.7730 -6.7730 -6.6977 -6.6977 -6.3975 -6.3975 -6.2757 -6.2757 -5.8032 -5.8032 -5.7926 -5.7926 -5.7064 -5.7064 -4.1626 -4.1626 -4.0154 -4.0154 -3.8679 -3.8679 -1.3900 -1.3900 -1.2772 -1.2772 -0.8446 -0.8446 -0.4466 -0.4466 -0.4008 -0.4008 0.8282 0.8282 1.3462 1.3462 1.7706 1.7706 2.2361 2.2361 2.4699 2.4699 2.5883 2.5883 3.3911 3.3911 3.4680 3.4680 3.7825 3.7825 k = 0.1538 0.1538-0.0000 ( 6887 PWs) bands (ev): -23.9550 -23.9550 -23.7666 -23.7666 -23.7422 -23.7422 -23.7407 -23.7407 -18.3316 -18.3316 -17.1172 -17.1172 -16.8374 -16.8374 -16.8368 -16.8368 -14.0703 -14.0703 -11.7845 -11.7845 -7.7757 -7.7757 -7.7128 -7.7128 -7.4725 -7.4725 -6.8730 -6.8730 -6.7877 -6.7877 -6.7138 -6.7138 -6.4182 -6.4182 -6.3347 -6.3347 -5.8008 -5.8008 -5.7888 -5.7888 -5.7148 -5.7148 -4.0936 -4.0936 -3.9579 -3.9579 -3.8296 -3.8296 -1.4104 -1.4104 -1.3160 -1.3160 -0.8559 -0.8559 -0.5072 -0.5072 -0.4660 -0.4660 0.9192 0.9192 1.3920 1.3920 1.8121 1.8121 2.2914 2.2914 2.4743 2.4743 2.5456 2.5456 3.3464 3.3464 3.4020 3.4020 3.7190 3.7190 k = 0.1410 0.1410-0.0000 ( 6897 PWs) bands (ev): -23.9587 -23.9587 -23.7628 -23.7628 -23.7420 -23.7420 -23.7406 -23.7406 -18.3505 -18.3505 -17.0795 -17.0795 -16.8374 -16.8374 -16.8369 -16.8369 -14.1235 -14.1235 -11.7320 -11.7320 -7.7534 -7.7534 -7.6956 -7.6956 -7.4886 -7.4886 -6.8864 -6.8864 -6.8042 -6.8042 -6.7328 -6.7328 -6.4385 -6.4385 -6.3867 -6.3867 -5.7980 -5.7980 -5.7850 -5.7850 -5.7226 -5.7226 -4.0255 -4.0255 -3.9027 -3.9027 -3.7925 -3.7925 -1.4304 -1.4304 -1.3534 -1.3534 -0.8664 -0.8664 -0.5655 -0.5655 -0.5295 -0.5295 1.0098 1.0098 1.4375 1.4375 1.8530 1.8530 2.3478 2.3478 2.4740 2.4740 2.5031 2.5031 3.3022 3.3022 3.3391 3.3391 3.6557 3.6557 k = 0.1282 0.1282-0.0000 ( 6889 PWs) bands (ev): -23.9621 -23.9621 -23.7592 -23.7592 -23.7418 -23.7418 -23.7406 -23.7406 -18.3680 -18.3680 -17.0432 -17.0432 -16.8374 -16.8374 -16.8370 -16.8370 -14.1742 -14.1742 -11.6821 -11.6821 -7.7310 -7.7310 -7.6789 -7.6789 -7.5038 -7.5038 -6.8987 -6.8987 -6.8221 -6.8221 -6.7550 -6.7550 -6.4580 -6.4580 -6.4308 -6.4308 -5.7949 -5.7949 -5.7815 -5.7815 -5.7298 -5.7298 -3.9590 -3.9590 -3.8501 -3.8501 -3.7571 -3.7571 -1.4501 -1.4501 -1.3890 -1.3890 -0.8760 -0.8760 -0.6209 -0.6209 -0.5903 -0.5903 1.0998 1.0998 1.4827 1.4827 1.8929 1.8929 2.4049 2.4049 2.4606 2.4606 2.4687 2.4687 3.2583 3.2583 3.2807 3.2807 3.5929 3.5929 k = 0.1154 0.1154-0.0000 ( 6883 PWs) bands (ev): -23.9652 -23.9652 -23.7558 -23.7558 -23.7415 -23.7415 -23.7406 -23.7406 -18.3842 -18.3842 -17.0085 -17.0085 -16.8374 -16.8374 -16.8370 -16.8370 -14.2220 -14.2220 -11.6352 -11.6352 -7.7089 -7.7089 -7.6630 -7.6630 -7.5179 -7.5179 -6.9100 -6.9100 -6.8408 -6.8408 -6.7804 -6.7804 -6.4766 -6.4766 -6.4668 -6.4668 -5.7917 -5.7917 -5.7783 -5.7783 -5.7365 -5.7365 -3.8949 -3.8949 -3.8006 -3.8006 -3.7237 -3.7237 -1.4695 -1.4695 -1.4225 -1.4225 -0.8846 -0.8846 -0.6730 -0.6730 -0.6480 -0.6480 1.1891 1.1891 1.5273 1.5273 1.9315 1.9315 2.4187 2.4187 2.4546 2.4546 2.4650 2.4650 3.2133 3.2133 3.2296 3.2296 3.5306 3.5306 k = 0.1026 0.1026-0.0000 ( 6883 PWs) bands (ev): -23.9680 -23.9680 -23.7527 -23.7527 -23.7413 -23.7413 -23.7406 -23.7406 -18.3988 -18.3988 -16.9759 -16.9759 -16.8374 -16.8374 -16.8371 -16.8371 -14.2665 -14.2665 -11.5917 -11.5917 -7.6874 -7.6874 -7.6480 -7.6480 -7.5309 -7.5309 -6.9201 -6.9201 -6.8599 -6.8599 -6.8081 -6.8081 -6.4955 -6.4955 -6.4937 -6.4937 -5.7885 -5.7885 -5.7753 -5.7753 -5.7424 -5.7424 -3.8338 -3.8338 -3.7545 -3.7545 -3.6925 -3.6925 -1.4884 -1.4884 -1.4537 -1.4537 -0.8924 -0.8924 -0.7215 -0.7214 -0.7017 -0.7017 1.2774 1.2774 1.5713 1.5713 1.9685 1.9685 2.3773 2.3773 2.4376 2.4376 2.5216 2.5216 3.1675 3.1675 3.1866 3.1866 3.4691 3.4691 k = 0.0897 0.0897-0.0000 ( 6893 PWs) bands (ev): -23.9706 -23.9706 -23.7500 -23.7500 -23.7412 -23.7412 -23.7406 -23.7406 -18.4119 -18.4119 -16.9458 -16.9458 -16.8374 -16.8374 -16.8371 -16.8371 -14.3073 -14.3073 -11.5522 -11.5522 -7.6666 -7.6666 -7.6341 -7.6341 -7.5426 -7.5426 -6.9292 -6.9292 -6.8787 -6.8787 -6.8368 -6.8368 -6.5170 -6.5170 -6.5100 -6.5100 -5.7856 -5.7856 -5.7726 -5.7726 -5.7476 -5.7476 -3.7767 -3.7767 -3.7123 -3.7123 -3.6639 -3.6639 -1.5067 -1.5067 -1.4822 -1.4822 -0.8993 -0.8993 -0.7657 -0.7657 -0.7508 -0.7508 1.3643 1.3643 1.6143 1.6143 2.0035 2.0035 2.3365 2.3365 2.4116 2.4116 2.5802 2.5802 3.1253 3.1253 3.1487 3.1487 3.4082 3.4082 k = 0.0769 0.0769-0.0000 ( 6897 PWs) bands (ev): -23.9728 -23.9728 -23.7475 -23.7475 -23.7410 -23.7410 -23.7405 -23.7405 -18.4234 -18.4234 -16.9186 -16.9186 -16.8374 -16.8374 -16.8372 -16.8372 -14.3437 -14.3437 -11.5169 -11.5169 -7.6472 -7.6472 -7.6215 -7.6215 -7.5531 -7.5531 -6.9371 -6.9371 -6.8969 -6.8969 -6.8649 -6.8649 -6.5333 -6.5333 -6.5245 -6.5245 -5.7830 -5.7830 -5.7702 -5.7702 -5.7521 -5.7521 -3.7244 -3.7244 -3.6746 -3.6746 -3.6383 -3.6383 -1.5240 -1.5240 -1.5077 -1.5077 -0.9053 -0.9053 -0.8054 -0.8054 -0.7945 -0.7945 1.4496 1.4496 1.6561 1.6561 2.0358 2.0358 2.2968 2.2968 2.3780 2.3780 2.6391 2.6391 3.0890 3.0890 3.1144 3.1144 3.3479 3.3479 k = 0.0641 0.0641-0.0000 ( 6897 PWs) bands (ev): -23.9747 -23.9747 -23.7454 -23.7454 -23.7409 -23.7409 -23.7406 -23.7406 -18.4332 -18.4332 -16.8948 -16.8948 -16.8374 -16.8374 -16.8372 -16.8372 -14.3755 -14.3755 -11.4864 -11.4864 -7.6295 -7.6295 -7.6105 -7.6105 -7.5622 -7.5622 -6.9440 -6.9440 -6.9138 -6.9138 -6.8907 -6.8907 -6.5454 -6.5454 -6.5372 -6.5372 -5.7810 -5.7810 -5.7680 -5.7680 -5.7557 -5.7557 -3.6780 -3.6780 -3.6417 -3.6417 -3.6159 -3.6159 -1.5401 -1.5401 -1.5300 -1.5300 -0.9103 -0.9103 -0.8400 -0.8400 -0.8323 -0.8323 1.5325 1.5325 1.6960 1.6960 2.0650 2.0650 2.2586 2.2586 2.3374 2.3374 2.6980 2.6980 3.0593 3.0593 3.0841 3.0841 3.2881 3.2881 k = 0.0513 0.0513-0.0000 ( 6885 PWs) bands (ev): -23.9763 -23.9763 -23.7437 -23.7437 -23.7408 -23.7408 -23.7406 -23.7406 -18.4413 -18.4413 -16.8746 -16.8746 -16.8374 -16.8374 -16.8372 -16.8372 -14.4021 -14.4021 -11.4608 -11.4608 -7.6140 -7.6140 -7.6011 -7.6011 -7.5698 -7.5698 -6.9500 -6.9500 -6.9286 -6.9286 -6.9131 -6.9131 -6.5542 -6.5542 -6.5479 -6.5479 -5.7795 -5.7795 -5.7661 -5.7661 -5.7585 -5.7585 -3.6383 -3.6383 -3.6141 -3.6141 -3.5970 -3.5970 -1.5543 -1.5543 -1.5486 -1.5486 -0.9145 -0.9145 -0.8691 -0.8691 -0.8637 -0.8637 1.6120 1.6120 1.7334 1.7334 2.0903 2.0903 2.2227 2.2227 2.2913 2.2913 2.7569 2.7569 3.0357 3.0357 3.0584 3.0584 3.2289 3.2289 k = 0.0385 0.0385-0.0000 ( 6897 PWs) bands (ev): -23.9776 -23.9776 -23.7423 -23.7423 -23.7407 -23.7407 -23.7406 -23.7406 -18.4477 -18.4477 -16.8586 -16.8586 -16.8374 -16.8374 -16.8373 -16.8373 -14.4233 -14.4233 -11.4406 -11.4406 -7.6013 -7.6013 -7.5937 -7.5937 -7.5759 -7.5759 -6.9554 -6.9554 -6.9405 -6.9405 -6.9310 -6.9310 -6.5605 -6.5605 -6.5565 -6.5565 -5.7786 -5.7786 -5.7645 -5.7645 -5.7604 -5.7604 -3.6065 -3.6065 -3.5923 -3.5923 -3.5817 -3.5817 -1.5663 -1.5663 -1.5635 -1.5635 -0.9178 -0.9178 -0.8923 -0.8923 -0.8883 -0.8883 1.6862 1.6862 1.7667 1.7667 2.1110 2.1110 2.1905 2.1905 2.2421 2.2421 2.8157 2.8157 3.0177 3.0177 3.0379 3.0379 3.1700 3.1700 k = 0.0256 0.0256-0.0000 ( 6897 PWs) bands (ev): -23.9784 -23.9784 -23.7414 -23.7414 -23.7406 -23.7406 -23.7406 -23.7406 -18.4522 -18.4522 -16.8469 -16.8469 -16.8374 -16.8374 -16.8373 -16.8373 -14.4387 -14.4387 -11.4260 -11.4260 -7.5918 -7.5918 -7.5882 -7.5882 -7.5802 -7.5802 -6.9606 -6.9606 -6.9486 -6.9486 -6.9438 -6.9438 -6.5646 -6.5646 -6.5627 -6.5627 -5.7782 -5.7782 -5.7634 -5.7634 -5.7616 -5.7616 -3.5834 -3.5834 -3.5769 -3.5769 -3.5698 -3.5698 -1.5753 -1.5753 -1.5742 -1.5742 -0.9204 -0.9204 -0.9090 -0.9090 -0.9059 -0.9059 1.7515 1.7515 1.7940 1.7940 2.1261 2.1261 2.1640 2.1640 2.1944 2.1944 2.8743 2.8743 3.0046 3.0046 3.0233 3.0233 3.1116 3.1116 k = 0.0128 0.0128-0.0000 ( 6901 PWs) bands (ev): -23.9790 -23.9790 -23.7408 -23.7408 -23.7406 -23.7406 -23.7406 -23.7406 -18.4550 -18.4550 -16.8397 -16.8397 -16.8374 -16.8374 -16.8373 -16.8373 -14.4480 -14.4480 -11.4171 -11.4171 -7.5860 -7.5860 -7.5849 -7.5849 -7.5828 -7.5828 -6.9651 -6.9651 -6.9526 -6.9526 -6.9513 -6.9513 -6.5670 -6.5670 -6.5665 -6.5665 -5.7780 -5.7780 -5.7626 -5.7626 -5.7622 -5.7622 -3.5698 -3.5698 -3.5682 -3.5682 -3.5614 -3.5614 -1.5810 -1.5810 -1.5807 -1.5807 -0.9232 -0.9232 -0.9180 -0.9180 -0.9164 -0.9164 1.8001 1.8001 1.8125 1.8125 2.1337 2.1337 2.1469 2.1469 2.1569 2.1569 2.9322 2.9322 2.9962 2.9962 3.0148 3.0148 3.0541 3.0541 k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -23.9792 -23.9792 -23.7406 -23.7406 -23.7405 -23.7405 -23.7405 -23.7405 -18.4559 -18.4559 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4511 -14.4511 -11.4142 -11.4142 -7.5842 -7.5842 -7.5842 -7.5842 -7.5830 -7.5830 -6.9668 -6.9668 -6.9538 -6.9538 -6.9538 -6.9538 -6.5678 -6.5678 -6.5678 -6.5678 -5.7780 -5.7780 -5.7624 -5.7624 -5.7624 -5.7624 -3.5655 -3.5655 -3.5655 -3.5655 -3.5581 -3.5581 -1.5829 -1.5829 -1.5829 -1.5829 -0.9253 -0.9253 -0.9199 -0.9199 -0.9199 -0.9199 1.8192 1.8192 1.8192 1.8192 2.1315 2.1315 2.1435 2.1435 2.1435 2.1435 2.9831 2.9831 2.9846 2.9846 3.0120 3.0120 3.0120 3.0120 k = 0.0000 0.0000 0.0000 ( 6931 PWs) bands (ev): -23.9792 -23.9792 -23.7406 -23.7406 -23.7405 -23.7405 -23.7405 -23.7405 -18.4559 -18.4559 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4511 -14.4511 -11.4142 -11.4142 -7.5842 -7.5842 -7.5842 -7.5842 -7.5830 -7.5830 -6.9668 -6.9668 -6.9538 -6.9538 -6.9538 -6.9538 -6.5678 -6.5678 -6.5678 -6.5678 -5.7780 -5.7780 -5.7624 -5.7624 -5.7624 -5.7624 -3.5655 -3.5655 -3.5655 -3.5655 -3.5581 -3.5581 -1.5829 -1.5829 -1.5829 -1.5829 -0.9253 -0.9253 -0.9199 -0.9199 -0.9199 -0.9199 1.8192 1.8192 1.8192 1.8192 2.1315 2.1315 2.1435 2.1435 2.1435 2.1435 2.9831 2.9831 2.9846 2.9846 3.0120 3.0120 3.0120 3.0120 k = 0.0104 0.0104 0.0104 ( 6901 PWs) bands (ev): -23.9790 -23.9790 -23.7408 -23.7408 -23.7406 -23.7406 -23.7406 -23.7406 -18.4550 -18.4550 -16.8397 -16.8397 -16.8374 -16.8374 -16.8373 -16.8373 -14.4480 -14.4480 -11.4171 -11.4171 -7.5856 -7.5856 -7.5850 -7.5850 -7.5830 -7.5830 -6.9651 -6.9651 -6.9525 -6.9525 -6.9515 -6.9515 -6.5668 -6.5668 -6.5667 -6.5667 -5.7780 -5.7780 -5.7625 -5.7625 -5.7624 -5.7624 -3.5700 -3.5700 -3.5680 -3.5680 -3.5613 -3.5613 -1.5809 -1.5809 -1.5809 -1.5809 -0.9231 -0.9231 -0.9184 -0.9184 -0.9162 -0.9162 1.8062 1.8062 1.8065 1.8065 2.1361 2.1361 2.1486 2.1486 2.1529 2.1529 2.9323 2.9323 2.9964 2.9964 3.0150 3.0150 3.0536 3.0536 k = 0.0208 0.0208 0.0208 ( 6901 PWs) bands (ev): -23.9784 -23.9784 -23.7413 -23.7413 -23.7406 -23.7406 -23.7406 -23.7406 -18.4523 -18.4523 -16.8468 -16.8468 -16.8374 -16.8374 -16.8373 -16.8373 -14.4388 -14.4388 -11.4259 -11.4259 -7.5897 -7.5897 -7.5890 -7.5890 -7.5815 -7.5815 -6.9601 -6.9601 -6.9487 -6.9487 -6.9444 -6.9444 -6.5637 -6.5637 -6.5637 -6.5637 -5.7781 -5.7781 -5.7627 -5.7627 -5.7623 -5.7623 -3.5844 -3.5844 -3.5755 -3.5755 -3.5697 -3.5697 -1.5749 -1.5749 -1.5748 -1.5748 -0.9179 -0.9179 -0.9139 -0.9139 -0.9038 -0.9038 1.7713 1.7713 1.7722 1.7722 2.1384 2.1384 2.1709 2.1709 2.1773 2.1773 2.8741 2.8741 3.0056 3.0056 3.0238 3.0238 3.1101 3.1101 k = 0.0312 0.0312 0.0312 ( 6901 PWs) bands (ev): -23.9776 -23.9776 -23.7423 -23.7423 -23.7407 -23.7407 -23.7406 -23.7406 -18.4478 -18.4478 -16.8584 -16.8584 -16.8374 -16.8374 -16.8373 -16.8373 -14.4236 -14.4236 -11.4403 -11.4403 -7.5963 -7.5963 -7.5957 -7.5957 -7.5789 -7.5789 -6.9528 -6.9528 -6.9426 -6.9426 -6.9317 -6.9317 -6.5586 -6.5586 -6.5585 -6.5585 -5.7782 -5.7782 -5.7631 -5.7631 -5.7622 -5.7622 -3.6092 -3.6092 -3.5878 -3.5878 -3.5825 -3.5825 -1.5653 -1.5653 -1.5650 -1.5650 -0.9101 -0.9101 -0.9061 -0.9061 -0.8827 -0.8827 1.7221 1.7221 1.7236 1.7236 2.1386 2.1386 2.2031 2.2031 2.2094 2.2094 2.8148 2.8148 3.0205 3.0205 3.0385 3.0385 3.1673 3.1673 k = 0.0417 0.0417 0.0417 ( 6895 PWs) bands (ev): -23.9764 -23.9764 -23.7436 -23.7436 -23.7407 -23.7407 -23.7407 -23.7407 -18.4415 -18.4415 -16.8743 -16.8743 -16.8374 -16.8374 -16.8372 -16.8372 -14.4027 -14.4027 -11.4603 -11.4603 -7.6050 -7.6050 -7.6046 -7.6046 -7.5757 -7.5757 -6.9439 -6.9439 -6.9347 -6.9347 -6.9131 -6.9131 -6.5514 -6.5514 -6.5511 -6.5511 -5.7785 -5.7785 -5.7636 -5.7636 -5.7620 -5.7620 -3.6436 -3.6436 -3.6045 -3.6045 -3.5994 -3.5994 -1.5524 -1.5524 -1.5519 -1.5519 -0.8991 -0.8991 -0.8951 -0.8951 -0.8537 -0.8537 1.6640 1.6640 1.6660 1.6660 2.1384 2.1384 2.2377 2.2377 2.2439 2.2439 2.7549 2.7549 3.0412 3.0412 3.0591 3.0591 3.2245 3.2245 k = 0.0521 0.0521 0.0521 ( 6895 PWs) bands (ev): -23.9748 -23.9748 -23.7453 -23.7453 -23.7408 -23.7408 -23.7407 -23.7407 -18.4335 -18.4335 -16.8942 -16.8942 -16.8373 -16.8373 -16.8372 -16.8372 -14.3764 -14.3764 -11.4855 -11.4855 -7.6157 -7.6157 -7.6155 -7.6155 -7.5721 -7.5721 -6.9338 -6.9338 -6.9254 -6.9254 -6.8886 -6.8886 -6.5419 -6.5419 -6.5416 -6.5416 -5.7788 -5.7788 -5.7643 -5.7643 -5.7617 -5.7617 -3.6867 -3.6867 -3.6253 -3.6253 -3.6204 -3.6204 -1.5368 -1.5368 -1.5361 -1.5361 -0.8847 -0.8847 -0.8806 -0.8806 -0.8178 -0.8178 1.6002 1.6002 1.6026 1.6026 2.1379 2.1379 2.2715 2.2715 2.2776 2.2776 2.6944 2.6944 3.0678 3.0678 3.0856 3.0856 3.2819 3.2819 k = 0.0625 0.0625 0.0625 ( 6886 PWs) bands (ev): -23.9729 -23.9729 -23.7473 -23.7473 -23.7409 -23.7409 -23.7408 -23.7408 -18.4239 -18.4239 -16.9177 -16.9177 -16.8373 -16.8373 -16.8372 -16.8372 -14.3451 -14.3451 -11.5156 -11.5156 -7.6278 -7.6278 -7.6278 -7.6278 -7.5686 -7.5686 -6.9230 -6.9230 -6.9153 -6.9153 -6.8580 -6.8580 -6.5302 -6.5302 -6.5297 -6.5297 -5.7793 -5.7793 -5.7651 -5.7651 -5.7613 -5.7613 -3.7376 -3.7376 -3.6497 -3.6497 -3.6449 -3.6449 -1.5192 -1.5192 -1.5182 -1.5182 -0.8666 -0.8666 -0.8624 -0.8624 -0.7757 -0.7757 1.5327 1.5327 1.5354 1.5354 2.1373 2.1373 2.3027 2.3027 2.3088 2.3088 2.6336 2.6336 3.1001 3.1001 3.1176 3.1176 3.3394 3.3394 k = 0.0729 0.0729 0.0729 ( 6874 PWs) bands (ev): -23.9707 -23.9707 -23.7496 -23.7496 -23.7410 -23.7410 -23.7409 -23.7409 -18.4126 -18.4126 -16.9444 -16.9444 -16.8373 -16.8373 -16.8372 -16.8372 -14.3093 -14.3093 -11.5502 -11.5502 -7.6413 -7.6413 -7.6410 -7.6410 -7.5654 -7.5654 -6.9120 -6.9120 -6.9048 -6.9048 -6.8217 -6.8217 -6.5161 -6.5161 -6.5155 -6.5155 -5.7799 -5.7799 -5.7660 -5.7660 -5.7608 -5.7608 -3.7956 -3.7956 -3.6772 -3.6772 -3.6725 -3.6725 -1.5001 -1.5001 -1.4989 -1.4989 -0.8446 -0.8446 -0.8403 -0.8403 -0.7284 -0.7284 1.4624 1.4624 1.4653 1.4653 2.1366 2.1366 2.3305 2.3305 2.3366 2.3366 2.5725 2.5725 3.1376 3.1376 3.1549 3.1549 3.3972 3.3972 k = 0.0833 0.0833 0.0833 ( 6880 PWs) bands (ev): -23.9682 -23.9682 -23.7523 -23.7523 -23.7411 -23.7411 -23.7410 -23.7410 -18.3998 -18.3998 -16.9738 -16.9738 -16.8373 -16.8373 -16.8372 -16.8372 -14.2695 -14.2695 -11.5889 -11.5889 -7.6554 -7.6554 -7.6550 -7.6550 -7.5628 -7.5628 -6.9011 -6.9011 -6.8945 -6.8945 -6.7795 -6.7795 -6.4997 -6.4997 -6.4990 -6.4990 -5.7806 -5.7806 -5.7670 -5.7670 -5.7600 -5.7600 -3.8598 -3.8598 -3.7072 -3.7072 -3.7026 -3.7026 -1.4805 -1.4805 -1.4789 -1.4789 -0.8184 -0.8184 -0.8139 -0.8139 -0.6769 -0.6769 1.3901 1.3901 1.3932 1.3932 2.1357 2.1357 2.3546 2.3546 2.3609 2.3609 2.5113 2.5113 3.1799 3.1799 3.1970 3.1970 3.4554 3.4554 k = 0.0938 0.0937 0.0937 ( 6874 PWs) bands (ev): -23.9654 -23.9654 -23.7552 -23.7552 -23.7412 -23.7412 -23.7412 -23.7412 -18.3856 -18.3856 -17.0056 -17.0056 -16.8372 -16.8372 -16.8371 -16.8371 -14.2262 -14.2262 -11.6311 -11.6311 -7.6700 -7.6700 -7.6694 -7.6694 -7.5610 -7.5610 -6.8907 -6.8907 -6.8846 -6.8846 -6.7318 -6.7318 -6.4811 -6.4811 -6.4802 -6.4802 -5.7815 -5.7815 -5.7681 -5.7681 -5.7592 -5.7592 -3.9294 -3.9294 -3.7392 -3.7392 -3.7347 -3.7347 -1.4608 -1.4608 -1.4589 -1.4589 -0.7879 -0.7879 -0.7832 -0.7832 -0.6220 -0.6220 1.3163 1.3163 1.3196 1.3196 2.1348 2.1348 2.3750 2.3750 2.3817 2.3817 2.4504 2.4504 3.2265 3.2265 3.2434 3.2434 3.5141 3.5141 k = 0.1042 0.1042 0.1042 ( 6868 PWs) bands (ev): -23.9624 -23.9624 -23.7584 -23.7584 -23.7414 -23.7414 -23.7413 -23.7413 -18.3700 -18.3700 -17.0391 -17.0391 -16.8372 -16.8372 -16.8371 -16.8371 -14.1799 -14.1799 -11.6764 -11.6764 -7.6847 -7.6847 -7.6839 -7.6839 -7.5602 -7.5602 -6.8812 -6.8812 -6.8756 -6.8756 -6.6788 -6.6788 -6.4605 -6.4605 -6.4595 -6.4595 -5.7824 -5.7824 -5.7693 -5.7693 -5.7581 -5.7581 -4.0035 -4.0035 -3.7727 -3.7727 -3.7683 -3.7683 -1.4416 -1.4416 -1.4394 -1.4394 -0.7529 -0.7529 -0.7480 -0.7480 -0.5647 -0.5647 1.2413 1.2413 1.2448 1.2448 2.1337 2.1337 2.3856 2.3856 2.3962 2.3962 2.3991 2.3991 3.2766 3.2766 3.2932 3.2932 3.5734 3.5734 k = 0.1146 0.1146 0.1146 ( 6880 PWs) bands (ev): -23.9591 -23.9591 -23.7619 -23.7619 -23.7415 -23.7415 -23.7415 -23.7415 -18.3533 -18.3533 -17.0740 -17.0740 -16.8372 -16.8372 -16.8371 -16.8371 -14.1313 -14.1313 -11.7243 -11.7243 -7.6993 -7.6993 -7.6983 -7.6983 -7.5604 -7.5604 -6.8727 -6.8727 -6.8675 -6.8675 -6.6209 -6.6209 -6.4380 -6.4380 -6.4369 -6.4369 -5.7835 -5.7835 -5.7704 -5.7704 -5.7569 -5.7569 -4.0816 -4.0816 -3.8070 -3.8070 -3.8026 -3.8026 -1.4234 -1.4234 -1.4210 -1.4210 -0.7134 -0.7134 -0.7084 -0.7084 -0.5058 -0.5058 1.1654 1.1654 1.1690 1.1690 2.1325 2.1325 2.3287 2.3287 2.4071 2.4071 2.4135 2.4135 3.3295 3.3295 3.3460 3.3460 3.6332 3.6332 k = 0.1250 0.1250 0.1250 ( 6883 PWs) bands (ev): -23.9556 -23.9556 -23.7655 -23.7655 -23.7417 -23.7417 -23.7416 -23.7416 -18.3356 -18.3356 -17.1098 -17.1098 -16.8371 -16.8371 -16.8370 -16.8370 -14.0809 -14.0809 -11.7740 -11.7740 -7.7135 -7.7135 -7.7123 -7.7123 -7.5615 -7.5615 -6.8653 -6.8653 -6.8605 -6.8605 -6.5584 -6.5584 -6.4140 -6.4140 -6.4129 -6.4129 -5.7846 -5.7846 -5.7716 -5.7716 -5.7555 -5.7555 -4.1629 -4.1629 -3.8417 -3.8417 -3.8374 -3.8374 -1.4064 -1.4064 -1.4038 -1.4038 -0.6695 -0.6695 -0.6644 -0.6644 -0.4462 -0.4462 1.0889 1.0889 1.0925 1.0925 2.1313 2.1313 2.2696 2.2696 2.4186 2.4186 2.4253 2.4253 3.3846 3.3846 3.4009 3.4009 3.6935 3.6935 k = 0.1354 0.1354 0.1354 ( 6874 PWs) bands (ev): -23.9520 -23.9520 -23.7692 -23.7692 -23.7419 -23.7419 -23.7418 -23.7418 -18.3170 -18.3170 -17.1459 -17.1459 -16.8371 -16.8371 -16.8370 -16.8370 -14.0294 -14.0294 -11.8250 -11.8250 -7.7271 -7.7271 -7.7258 -7.7258 -7.5637 -7.5637 -6.8591 -6.8591 -6.8546 -6.8546 -6.4920 -6.4920 -6.3888 -6.3888 -6.3878 -6.3878 -5.7857 -5.7857 -5.7727 -5.7727 -5.7540 -5.7540 -4.2467 -4.2467 -3.8762 -3.8762 -3.8719 -3.8719 -1.3909 -1.3909 -1.3881 -1.3881 -0.6213 -0.6213 -0.6162 -0.6162 -0.3867 -0.3867 1.0118 1.0118 1.0156 1.0156 2.1300 2.1300 2.2117 2.2117 2.4279 2.4279 2.4349 2.4349 3.4411 3.4411 3.4573 3.4573 3.7541 3.7541 k = 0.1458 0.1458 0.1458 ( 6856 PWs) bands (ev): -23.9481 -23.9481 -23.7731 -23.7731 -23.7421 -23.7421 -23.7420 -23.7420 -18.2979 -18.2979 -17.1819 -17.1819 -16.8371 -16.8371 -16.8370 -16.8370 -13.9774 -13.9774 -11.8766 -11.8766 -7.7401 -7.7401 -7.7386 -7.7386 -7.5668 -7.5668 -6.8541 -6.8541 -6.8499 -6.8499 -6.4221 -6.4221 -6.3630 -6.3630 -6.3621 -6.3621 -5.7868 -5.7868 -5.7736 -5.7736 -5.7524 -5.7524 -4.3324 -4.3324 -3.9101 -3.9101 -3.9058 -3.9058 -1.3770 -1.3770 -1.3741 -1.3741 -0.5692 -0.5692 -0.5641 -0.5641 -0.3280 -0.3280 0.9345 0.9345 0.9383 0.9383 2.1285 2.1285 2.1556 2.1556 2.4353 2.4353 2.4425 2.4425 3.4983 3.4983 3.5145 3.5145 3.8149 3.8149 k = 0.1562 0.1562 0.1562 ( 6862 PWs) bands (ev): -23.9442 -23.9442 -23.7770 -23.7770 -23.7423 -23.7423 -23.7422 -23.7422 -18.2784 -18.2784 -17.2173 -17.2173 -16.8370 -16.8370 -16.8369 -16.8369 -13.9257 -13.9257 -11.9281 -11.9281 -7.7521 -7.7521 -7.7505 -7.7505 -7.5707 -7.5707 -6.8503 -6.8503 -6.8462 -6.8462 -6.3493 -6.3493 -6.3369 -6.3369 -6.3362 -6.3362 -5.7877 -5.7877 -5.7743 -5.7743 -5.7506 -5.7506 -4.4193 -4.4193 -3.9428 -3.9428 -3.9385 -3.9385 -1.3647 -1.3647 -1.3616 -1.3616 -0.5134 -0.5134 -0.5083 -0.5083 -0.2711 -0.2711 0.8569 0.8569 0.8607 0.8607 2.1012 2.1012 2.1272 2.1272 2.4411 2.4411 2.4484 2.4484 3.5556 3.5556 3.5718 3.5718 3.8756 3.8756 k = 0.1667 0.1667 0.1667 ( 6856 PWs) bands (ev): -23.9403 -23.9403 -23.7810 -23.7810 -23.7425 -23.7425 -23.7424 -23.7424 -18.2590 -18.2590 -17.2515 -17.2515 -16.8370 -16.8370 -16.8369 -16.8369 -13.8750 -13.8750 -11.9785 -11.9785 -7.7632 -7.7632 -7.7615 -7.7615 -7.5753 -7.5753 -6.8476 -6.8476 -6.8437 -6.8437 -6.3111 -6.3111 -6.3106 -6.3106 -6.2744 -6.2744 -5.7884 -5.7884 -5.7748 -5.7748 -5.7487 -5.7487 -4.5068 -4.5068 -3.9738 -3.9738 -3.9695 -3.9695 -1.3539 -1.3539 -1.3507 -1.3507 -0.4543 -0.4543 -0.4492 -0.4492 -0.2167 -0.2167 0.7792 0.7792 0.7831 0.7831 2.0499 2.0499 2.1256 2.1256 2.4455 2.4455 2.4529 2.4529 3.6122 3.6122 3.6285 3.6285 3.9357 3.9357 k = 0.1771 0.1771 0.1771 ( 6868 PWs) bands (ev): -23.9363 -23.9363 -23.7849 -23.7849 -23.7427 -23.7427 -23.7426 -23.7426 -18.2400 -18.2400 -17.2839 -17.2839 -16.8370 -16.8370 -16.8369 -16.8369 -13.8263 -13.8263 -12.0272 -12.0272 -7.7733 -7.7733 -7.7715 -7.7715 -7.5805 -7.5805 -6.8460 -6.8460 -6.8422 -6.8422 -6.2860 -6.2860 -6.2858 -6.2858 -6.1982 -6.1982 -5.7887 -5.7887 -5.7749 -5.7749 -5.7467 -5.7467 -4.5939 -4.5939 -4.0029 -4.0029 -3.9985 -3.9985 -1.3445 -1.3445 -1.3413 -1.3413 -0.3922 -0.3922 -0.3871 -0.3871 -0.1656 -0.1656 0.7016 0.7016 0.7056 0.7056 2.0018 2.0018 2.1240 2.1240 2.4486 2.4486 2.4562 2.4562 3.6673 3.6673 3.6836 3.6836 3.9947 3.9947 k = 0.1875 0.1875 0.1875 ( 6856 PWs) bands (ev): -23.9324 -23.9324 -23.7886 -23.7886 -23.7429 -23.7429 -23.7429 -23.7429 -18.2219 -18.2219 -17.3140 -17.3140 -16.8370 -16.8370 -16.8369 -16.8369 -13.7805 -13.7805 -12.0729 -12.0729 -7.7821 -7.7821 -7.7803 -7.7803 -7.5863 -7.5863 -6.8454 -6.8454 -6.8417 -6.8417 -6.2623 -6.2623 -6.2622 -6.2622 -6.1219 -6.1219 -5.7887 -5.7887 -5.7746 -5.7746 -5.7447 -5.7447 -4.6797 -4.6797 -4.0294 -4.0294 -4.0250 -4.0250 -1.3366 -1.3366 -1.3333 -1.3333 -0.3275 -0.3275 -0.3224 -0.3224 -0.1186 -0.1186 0.6242 0.6242 0.6283 0.6283 1.9575 1.9575 2.1223 2.1223 2.4508 2.4508 2.4585 2.4585 3.7199 3.7199 3.7364 3.7364 4.0518 4.0518 k = 0.1979 0.1979 0.1979 ( 6869 PWs) bands (ev): -23.9287 -23.9287 -23.7921 -23.7921 -23.7431 -23.7431 -23.7431 -23.7431 -18.2053 -18.2053 -17.3411 -17.3411 -16.8369 -16.8369 -16.8368 -16.8368 -13.7387 -13.7387 -12.1146 -12.1146 -7.7898 -7.7898 -7.7879 -7.7879 -7.5924 -7.5924 -6.8458 -6.8458 -6.8422 -6.8422 -6.2405 -6.2405 -6.2401 -6.2401 -6.0467 -6.0467 -5.7881 -5.7881 -5.7737 -5.7737 -5.7425 -5.7425 -4.7628 -4.7628 -4.0530 -4.0530 -4.0486 -4.0486 -1.3300 -1.3300 -1.3266 -1.3266 -0.2604 -0.2604 -0.2554 -0.2554 -0.0766 -0.0766 0.5471 0.5471 0.5512 0.5512 1.9179 1.9179 2.1206 2.1206 2.4521 2.4521 2.4598 2.4598 3.7688 3.7688 3.7855 3.7855 4.1063 4.1063 k = 0.2083 0.2083 0.2083 ( 6857 PWs) bands (ev): -23.9252 -23.9252 -23.7954 -23.7954 -23.7434 -23.7434 -23.7433 -23.7433 -18.1906 -18.1906 -17.3646 -17.3646 -16.8369 -16.8369 -16.8368 -16.8368 -13.7020 -13.7020 -12.1512 -12.1512 -7.7962 -7.7962 -7.7942 -7.7942 -7.5989 -7.5989 -6.8473 -6.8473 -6.8437 -6.8437 -6.2209 -6.2209 -6.2201 -6.2201 -5.9747 -5.9747 -5.7868 -5.7868 -5.7721 -5.7721 -5.7403 -5.7403 -4.8412 -4.8412 -4.0733 -4.0733 -4.0688 -4.0688 -1.3246 -1.3246 -1.3212 -1.3212 -0.1914 -0.1914 -0.1864 -0.1864 -0.0402 -0.0402 0.4706 0.4706 0.4747 0.4747 1.8835 1.8835 2.1189 2.1189 2.4526 2.4526 2.4604 2.4604 3.8126 3.8126 3.8295 3.8295 4.1572 4.1572 k = 0.2188 0.2187 0.2187 ( 6860 PWs) bands (ev): -23.9220 -23.9220 -23.7982 -23.7982 -23.7436 -23.7436 -23.7436 -23.7436 -18.1784 -18.1784 -17.3837 -17.3837 -16.8369 -16.8369 -16.8368 -16.8368 -13.6717 -13.6717 -12.1814 -12.1814 -7.8013 -7.8013 -7.7992 -7.7992 -7.6056 -7.6056 -6.8497 -6.8497 -6.8461 -6.8461 -6.2039 -6.2039 -6.2027 -6.2027 -5.9089 -5.9089 -5.7848 -5.7848 -5.7698 -5.7698 -5.7381 -5.7381 -4.9122 -4.9122 -4.0900 -4.0900 -4.0855 -4.0855 -1.3204 -1.3204 -1.3170 -1.3170 -0.1208 -0.1208 -0.1158 -0.1158 -0.0104 -0.0104 0.3947 0.3947 0.3989 0.3989 1.8550 1.8550 2.1171 2.1171 2.4524 2.4524 2.4603 2.4603 3.8494 3.8494 3.8666 3.8666 4.2032 4.2032 k = 0.2292 0.2292 0.2292 ( 6872 PWs) bands (ev): -23.9193 -23.9193 -23.8006 -23.8006 -23.7439 -23.7439 -23.7438 -23.7438 -18.1694 -18.1694 -17.3978 -17.3978 -16.8369 -16.8369 -16.8368 -16.8368 -13.6489 -13.6489 -12.2041 -12.2041 -7.8051 -7.8051 -7.8030 -7.8030 -7.6124 -7.6124 -6.8531 -6.8531 -6.8495 -6.8495 -6.1897 -6.1897 -6.1882 -6.1882 -5.8534 -5.8534 -5.7820 -5.7820 -5.7668 -5.7668 -5.7358 -5.7358 -4.9715 -4.9715 -4.1028 -4.1028 -4.0983 -4.0983 -1.3173 -1.3173 -1.3139 -1.3139 -0.0490 -0.0490 -0.0440 -0.0440 0.0122 0.0122 0.3200 0.3200 0.3242 0.3242 1.8331 1.8331 2.1153 2.1153 2.4517 2.4517 2.4596 2.4596 3.8772 3.8772 3.8948 3.8948 4.2432 4.2432 k = 0.2396 0.2396 0.2396 ( 6884 PWs) bands (ev): -23.9170 -23.9170 -23.8024 -23.8024 -23.7441 -23.7441 -23.7441 -23.7441 -18.1641 -18.1641 -17.4064 -17.4064 -16.8369 -16.8369 -16.8368 -16.8368 -13.6345 -13.6345 -12.2182 -12.2182 -7.8074 -7.8074 -7.8053 -7.8053 -7.6191 -7.6191 -6.8575 -6.8575 -6.8539 -6.8539 -6.1785 -6.1785 -6.1767 -6.1767 -5.8139 -5.8139 -5.7783 -5.7783 -5.7630 -5.7630 -5.7334 -5.7334 -5.0137 -5.0137 -4.1115 -4.1115 -4.1070 -4.1070 -1.3154 -1.3154 -1.3120 -1.3120 0.0220 0.0220 0.0278 0.0278 0.0279 0.0279 0.2475 0.2475 0.2516 0.2516 1.8183 1.8183 2.1135 2.1135 2.4504 2.4504 2.4583 2.4583 3.8941 3.8941 3.9117 3.9117 4.2759 4.2759 k = 0.2500 0.2500 0.2500 ( 6881 PWs) bands (ev): -23.9154 -23.9154 -23.8035 -23.8035 -23.7443 -23.7443 -23.7443 -23.7443 -18.1627 -18.1627 -17.4091 -17.4091 -16.8369 -16.8369 -16.8368 -16.8368 -13.6293 -13.6293 -12.2232 -12.2232 -7.8084 -7.8084 -7.8063 -7.8063 -7.6258 -7.6258 -6.8629 -6.8629 -6.8592 -6.8592 -6.1704 -6.1704 -6.1684 -6.1684 -5.7964 -5.7964 -5.7739 -5.7739 -5.7586 -5.7586 -5.7311 -5.7311 -5.0328 -5.0328 -4.1159 -4.1159 -4.1113 -4.1113 -1.3145 -1.3145 -1.3112 -1.3112 0.0338 0.0338 0.0879 0.0879 0.0932 0.0932 0.1839 0.1839 0.1877 0.1877 1.8110 1.8110 2.1117 2.1117 2.4486 2.4486 2.4565 2.4565 3.8983 3.8983 3.9161 3.9161 4.3002 4.3002 k = 0.2604 0.2604 0.2604 ( 6884 PWs) bands (ev): -23.9144 -23.9144 -23.8039 -23.8039 -23.7446 -23.7446 -23.7445 -23.7445 -18.1653 -18.1653 -17.4058 -17.4058 -16.8369 -16.8369 -16.8368 -16.8368 -13.6335 -13.6335 -12.2187 -12.2187 -7.8080 -7.8080 -7.8058 -7.8058 -7.6323 -7.6323 -6.8694 -6.8694 -6.8656 -6.8656 -6.1654 -6.1654 -6.1632 -6.1632 -5.8041 -5.8041 -5.7691 -5.7691 -5.7536 -5.7536 -5.7287 -5.7287 -5.0251 -5.0251 -4.1159 -4.1159 -4.1113 -4.1113 -1.3149 -1.3149 -1.3115 -1.3115 0.0325 0.0325 0.0817 0.0817 0.0868 0.0868 0.1937 0.1937 0.1977 0.1977 1.8112 1.8112 2.1100 2.1100 2.4463 2.4463 2.4542 2.4542 3.8895 3.8895 3.9071 3.9071 4.3149 4.3149 k = 0.2708 0.2708 0.2708 ( 6872 PWs) bands (ev): -23.9141 -23.9141 -23.8036 -23.8036 -23.7448 -23.7448 -23.7448 -23.7448 -18.1719 -18.1719 -17.3967 -17.3967 -16.8369 -16.8369 -16.8368 -16.8368 -13.6468 -13.6468 -12.2049 -12.2049 -7.8062 -7.8062 -7.8040 -7.8040 -7.6385 -7.6385 -6.8769 -6.8769 -6.8730 -6.8730 -6.1633 -6.1633 -6.1611 -6.1611 -5.8361 -5.8361 -5.7639 -5.7639 -5.7483 -5.7483 -5.7262 -5.7262 -4.9922 -4.9922 -4.1115 -4.1115 -4.1069 -4.1069 -1.3164 -1.3164 -1.3130 -1.3130 0.0171 0.0171 0.0227 0.0227 0.0239 0.0239 0.2632 0.2632 0.2675 0.2675 1.8191 1.8191 2.1082 2.1082 2.4436 2.4436 2.4514 2.4514 3.8682 3.8682 3.8856 3.8856 4.3196 4.3196 k = 0.2812 0.2812 0.2812 ( 6875 PWs) bands (ev): -23.9145 -23.9145 -23.8025 -23.8025 -23.7451 -23.7451 -23.7450 -23.7450 -18.1820 -18.1820 -17.3822 -17.3822 -16.8369 -16.8369 -16.8368 -16.8368 -13.6687 -13.6687 -12.1826 -12.1826 -7.8030 -7.8030 -7.8008 -7.8008 -7.6443 -7.6443 -6.8855 -6.8855 -6.8815 -6.8815 -6.1639 -6.1639 -6.1617 -6.1617 -5.8874 -5.8874 -5.7584 -5.7584 -5.7428 -5.7428 -5.7238 -5.7238 -4.9392 -4.9392 -4.1028 -4.1028 -4.0981 -4.0981 -1.3191 -1.3191 -1.3157 -1.3157 -0.0502 -0.0502 -0.0452 -0.0452 0.0063 0.0063 0.3392 0.3392 0.3435 0.3435 1.8341 1.8341 2.1064 2.1064 2.4404 2.4404 2.4482 2.4482 3.8362 3.8362 3.8533 3.8533 4.3139 4.3139 k = 0.2917 0.2917 0.2917 ( 6872 PWs) bands (ev): -23.9155 -23.9155 -23.8008 -23.8008 -23.7453 -23.7453 -23.7453 -23.7453 -18.1951 -18.1951 -17.3628 -17.3628 -16.8369 -16.8369 -16.8368 -16.8368 -13.6981 -13.6981 -12.1526 -12.1526 -7.7984 -7.7984 -7.7962 -7.7962 -7.6497 -7.6497 -6.8953 -6.8953 -6.8912 -6.8912 -6.1668 -6.1668 -6.1647 -6.1647 -5.9519 -5.9519 -5.7527 -5.7527 -5.7372 -5.7372 -5.7214 -5.7214 -4.8721 -4.8721 -4.0898 -4.0898 -4.0852 -4.0852 -1.3231 -1.3231 -1.3198 -1.3198 -0.1174 -0.1174 -0.1124 -0.1124 -0.0179 -0.0179 0.4168 0.4168 0.4212 0.4212 1.8559 1.8559 2.1047 2.1047 2.4367 2.4367 2.4444 2.4444 3.7954 3.7954 3.8122 3.8122 4.2981 4.2981 k = 0.3021 0.3021 0.3021 ( 6881 PWs) bands (ev): -23.9170 -23.9170 -23.7984 -23.7984 -23.7455 -23.7455 -23.7455 -23.7455 -18.2108 -18.2108 -17.3391 -17.3391 -16.8369 -16.8369 -16.8368 -16.8368 -13.7340 -13.7340 -12.1162 -12.1162 -7.7924 -7.7924 -7.7902 -7.7902 -7.6544 -7.6544 -6.9061 -6.9061 -6.9019 -6.9019 -6.1719 -6.1719 -6.1699 -6.1699 -6.0250 -6.0250 -5.7471 -5.7471 -5.7317 -5.7317 -5.7189 -5.7189 -4.7957 -4.7957 -4.0729 -4.0729 -4.0683 -4.0683 -1.3285 -1.3285 -1.3252 -1.3252 -0.1830 -0.1830 -0.1780 -0.1780 -0.0484 -0.0484 0.4954 0.4954 0.4997 0.4997 1.8839 1.8839 2.1029 2.1029 2.4325 2.4325 2.4402 2.4402 3.7478 3.7478 3.7643 3.7643 4.2727 4.2727 k = 0.3125 0.3125 0.3125 ( 6881 PWs) bands (ev): -23.9190 -23.9190 -23.7956 -23.7956 -23.7458 -23.7458 -23.7457 -23.7457 -18.2283 -18.2283 -17.3118 -17.3118 -16.8370 -16.8370 -16.8369 -16.8369 -13.7752 -13.7752 -12.0746 -12.0746 -7.7851 -7.7851 -7.7830 -7.7830 -7.6585 -7.6585 -6.9182 -6.9182 -6.9138 -6.9138 -6.1786 -6.1786 -6.1767 -6.1767 -6.1032 -6.1032 -5.7418 -5.7418 -5.7265 -5.7265 -5.7165 -5.7165 -4.7135 -4.7135 -4.0523 -4.0523 -4.0476 -4.0476 -1.3354 -1.3354 -1.3321 -1.3321 -0.2465 -0.2465 -0.2415 -0.2415 -0.0846 -0.0846 0.5745 0.5745 0.5788 0.5788 1.9175 1.9175 2.1013 2.1013 2.4278 2.4278 2.4354 2.4354 3.6951 3.6951 3.7114 3.7114 4.2386 4.2386 k = 0.3229 0.3229 0.3229 ( 6875 PWs) bands (ev): -23.9213 -23.9213 -23.7924 -23.7924 -23.7460 -23.7460 -23.7459 -23.7459 -18.2471 -18.2471 -17.2816 -17.2816 -16.8370 -16.8370 -16.8369 -16.8369 -13.8204 -13.8204 -12.0289 -12.0289 -7.7765 -7.7765 -7.7744 -7.7744 -7.6618 -7.6618 -6.9314 -6.9314 -6.9268 -6.9268 -6.1866 -6.1866 -6.1853 -6.1853 -6.1840 -6.1840 -5.7368 -5.7368 -5.7217 -5.7217 -5.7141 -5.7141 -4.6277 -4.6277 -4.0283 -4.0283 -4.0237 -4.0237 -1.3438 -1.3438 -1.3407 -1.3407 -0.3075 -0.3075 -0.3025 -0.3025 -0.1256 -0.1256 0.6540 0.6540 0.6583 0.6583 1.9561 1.9561 2.0997 2.0997 2.4225 2.4225 2.4300 2.4300 3.6386 3.6386 3.6547 3.6547 4.1967 4.1967 k = 0.3333 0.3333 0.3333 ( 6881 PWs) bands (ev): -23.9239 -23.9239 -23.7889 -23.7889 -23.7462 -23.7462 -23.7462 -23.7462 -18.2668 -18.2668 -17.2492 -17.2492 -16.8370 -16.8370 -16.8369 -16.8369 -13.8686 -13.8686 -11.9803 -11.9803 -7.7666 -7.7666 -7.7646 -7.7646 -7.6642 -7.6642 -6.9457 -6.9457 -6.9410 -6.9410 -6.2669 -6.2669 -6.1957 -6.1957 -6.1942 -6.1942 -5.7322 -5.7322 -5.7172 -5.7172 -5.7116 -5.7116 -4.5401 -4.5401 -4.0014 -4.0014 -3.9968 -3.9968 -1.3540 -1.3540 -1.3509 -1.3509 -0.3657 -0.3657 -0.3607 -0.3607 -0.1705 -0.1705 0.7338 0.7338 0.7380 0.7380 1.9991 1.9991 2.0981 2.0981 2.4164 2.4164 2.4238 2.4238 3.5795 3.5795 3.5954 3.5954 4.1481 4.1481 k = 0.3438 0.3437 0.3437 ( 6881 PWs) bands (ev): -23.9267 -23.9267 -23.7852 -23.7852 -23.7464 -23.7464 -23.7464 -23.7464 -18.2867 -18.2867 -17.2150 -17.2150 -16.8370 -16.8370 -16.8369 -16.8369 -13.9188 -13.9188 -11.9298 -11.9298 -7.7556 -7.7556 -7.7536 -7.7536 -7.6656 -7.6656 -6.9612 -6.9612 -6.9563 -6.9563 -6.3497 -6.3497 -6.2055 -6.2055 -6.2041 -6.2041 -5.7281 -5.7281 -5.7131 -5.7131 -5.7092 -5.7092 -4.4519 -4.4519 -3.9720 -3.9720 -3.9674 -3.9674 -1.3659 -1.3659 -1.3629 -1.3629 -0.4208 -0.4208 -0.4157 -0.4157 -0.2185 -0.2185 0.8136 0.8136 0.8178 0.8178 2.0458 2.0458 2.0966 2.0966 2.4096 2.4096 2.4168 2.4168 3.5185 3.5185 3.5344 3.5344 4.0938 4.0938 k = 0.3542 0.3542 0.3542 ( 6881 PWs) bands (ev): -23.9295 -23.9295 -23.7814 -23.7814 -23.7466 -23.7466 -23.7466 -23.7466 -18.3067 -18.3067 -17.1797 -17.1797 -16.8371 -16.8371 -16.8370 -16.8370 -13.9702 -13.9702 -11.8783 -11.8783 -7.7434 -7.7434 -7.7416 -7.7416 -7.6659 -7.6659 -6.9777 -6.9777 -6.9726 -6.9726 -6.4319 -6.4319 -6.2156 -6.2156 -6.2145 -6.2145 -5.7245 -5.7245 -5.7094 -5.7094 -5.7069 -5.7069 -4.3640 -4.3640 -3.9405 -3.9405 -3.9359 -3.9359 -1.3795 -1.3795 -1.3767 -1.3767 -0.4723 -0.4723 -0.4673 -0.4673 -0.2688 -0.2688 0.8935 0.8935 0.8976 0.8976 2.0936 2.0936 2.0974 2.0974 2.4017 2.4017 2.4088 2.4088 3.4566 3.4566 3.4724 3.4724 4.0348 4.0348 k = 0.3646 0.3646 0.3646 ( 6875 PWs) bands (ev): -23.9324 -23.9324 -23.7776 -23.7776 -23.7468 -23.7468 -23.7467 -23.7467 -18.3263 -18.3263 -17.1439 -17.1439 -16.8371 -16.8371 -16.8370 -16.8370 -14.0218 -14.0218 -11.8266 -11.8266 -7.7302 -7.7302 -7.7285 -7.7285 -7.6650 -7.6650 -6.9952 -6.9952 -6.9899 -6.9899 -6.5129 -6.5129 -6.2259 -6.2259 -6.2249 -6.2249 -5.7213 -5.7213 -5.7061 -5.7061 -5.7046 -5.7046 -4.2773 -4.2773 -3.9076 -3.9076 -3.9030 -3.9030 -1.3950 -1.3950 -1.3923 -1.3923 -0.5201 -0.5201 -0.5152 -0.5152 -0.3207 -0.3207 0.9732 0.9732 0.9773 0.9773 2.0936 2.0936 2.1489 2.1489 2.3926 2.3926 2.3995 2.3995 3.3943 3.3943 3.4102 3.4102 3.9718 3.9718 k = 0.3750 0.3750 0.3750 ( 6878 PWs) bands (ev): -23.9353 -23.9353 -23.7738 -23.7738 -23.7470 -23.7470 -23.7469 -23.7469 -18.3452 -18.3452 -17.1079 -17.1079 -16.8371 -16.8371 -16.8370 -16.8370 -14.0730 -14.0730 -11.7756 -11.7756 -7.7161 -7.7161 -7.7144 -7.7144 -7.6628 -7.6628 -7.0136 -7.0136 -7.0081 -7.0081 -6.5922 -6.5922 -6.2361 -6.2361 -6.2352 -6.2352 -5.7185 -5.7185 -5.7032 -5.7032 -5.7024 -5.7024 -4.1925 -4.1925 -3.8736 -3.8736 -3.8690 -3.8690 -1.4122 -1.4122 -1.4097 -1.4097 -0.5640 -0.5640 -0.5591 -0.5591 -0.3734 -0.3734 1.0527 1.0527 1.0567 1.0567 2.0924 2.0924 2.2042 2.2042 2.3821 2.3821 2.3888 2.3888 3.3324 3.3324 3.3484 3.3484 3.9058 3.9058 k = 0.3854 0.3854 0.3854 ( 6893 PWs) bands (ev): -23.9380 -23.9380 -23.7701 -23.7701 -23.7471 -23.7471 -23.7471 -23.7471 -18.3633 -18.3633 -17.0724 -17.0724 -16.8372 -16.8372 -16.8371 -16.8371 -14.1232 -14.1232 -11.7258 -11.7258 -7.7011 -7.7011 -7.6996 -7.6996 -7.6593 -7.6593 -7.0328 -7.0328 -7.0270 -7.0270 -6.6691 -6.6691 -6.2459 -6.2459 -6.2452 -6.2452 -5.7161 -5.7161 -5.7007 -5.7007 -5.7003 -5.7003 -4.1104 -4.1104 -3.8393 -3.8393 -3.8346 -3.8346 -1.4309 -1.4309 -1.4286 -1.4286 -0.6038 -0.6038 -0.5990 -0.5990 -0.4261 -0.4261 1.1318 1.1318 1.1357 1.1357 2.0912 2.0912 2.2616 2.2616 2.3699 2.3699 2.3762 2.3762 3.2715 3.2715 3.2876 3.2876 3.8373 3.8373 k = 0.3958 0.3958 0.3958 ( 6881 PWs) bands (ev): -23.9407 -23.9407 -23.7666 -23.7666 -23.7473 -23.7473 -23.7472 -23.7472 -18.3804 -18.3804 -17.0377 -17.0377 -16.8372 -16.8372 -16.8371 -16.8371 -14.1715 -14.1715 -11.6780 -11.6780 -7.6855 -7.6855 -7.6841 -7.6841 -7.6542 -7.6542 -7.0525 -7.0525 -7.0465 -7.0465 -6.7432 -6.7432 -6.2553 -6.2553 -6.2547 -6.2547 -5.7139 -5.7139 -5.6984 -5.6984 -5.6984 -5.6984 -4.0317 -4.0317 -3.8050 -3.8050 -3.8003 -3.8003 -1.4508 -1.4508 -1.4488 -1.4488 -0.6394 -0.6394 -0.6347 -0.6347 -0.4781 -0.4781 1.2104 1.2104 1.2142 1.2142 2.0901 2.0901 2.3204 2.3204 2.3560 2.3560 2.3615 2.3615 3.2124 3.2124 3.2287 3.2287 3.7669 3.7669 k = 0.4062 0.4062 0.4062 ( 6875 PWs) bands (ev): -23.9432 -23.9432 -23.7634 -23.7634 -23.7474 -23.7474 -23.7474 -23.7474 -18.3962 -18.3962 -17.0043 -17.0043 -16.8372 -16.8372 -16.8371 -16.8371 -14.2176 -14.2176 -11.6326 -11.6326 -7.6694 -7.6694 -7.6682 -7.6682 -7.6477 -7.6477 -7.0725 -7.0725 -7.0663 -7.0663 -6.8141 -6.8141 -6.2641 -6.2641 -6.2636 -6.2636 -5.7121 -5.7121 -5.6967 -5.6967 -5.6965 -5.6965 -3.9570 -3.9570 -3.7714 -3.7714 -3.7667 -3.7667 -1.4716 -1.4716 -1.4698 -1.4698 -0.6707 -0.6707 -0.6662 -0.6662 -0.5285 -0.5285 1.2883 1.2883 1.2919 1.2919 2.0890 2.0890 2.3374 2.3374 2.3443 2.3443 2.3829 2.3829 3.1558 3.1558 3.1723 3.1723 3.6952 3.6952 k = 0.4167 0.4167 0.4167 ( 6878 PWs) bands (ev): -23.9455 -23.9455 -23.7603 -23.7603 -23.7476 -23.7476 -23.7475 -23.7475 -18.4107 -18.4107 -16.9728 -16.9728 -16.8373 -16.8373 -16.8372 -16.8372 -14.2607 -14.2607 -11.5904 -11.5904 -7.6531 -7.6531 -7.6521 -7.6521 -7.6396 -7.6396 -7.0926 -7.0926 -7.0861 -7.0861 -6.8813 -6.8813 -6.2722 -6.2722 -6.2718 -6.2718 -5.7105 -5.7105 -5.6951 -5.6951 -5.6948 -5.6948 -3.8872 -3.8872 -3.7392 -3.7392 -3.7343 -3.7343 -1.4927 -1.4927 -1.4912 -1.4912 -0.6981 -0.6981 -0.6936 -0.6936 -0.5768 -0.5768 1.3652 1.3652 1.3687 1.3687 2.0881 2.0881 2.3177 2.3177 2.3239 2.3239 2.4448 2.4448 3.1026 3.1026 3.1192 3.1192 3.6227 3.6227 k = 0.4271 0.4271 0.4271 ( 6869 PWs) bands (ev): -23.9475 -23.9475 -23.7575 -23.7575 -23.7477 -23.7477 -23.7476 -23.7476 -18.4237 -18.4237 -16.9435 -16.9435 -16.8373 -16.8373 -16.8372 -16.8372 -14.3004 -14.3004 -11.5518 -11.5518 -7.6369 -7.6369 -7.6361 -7.6361 -7.6300 -7.6300 -7.1124 -7.1124 -7.1055 -7.1055 -6.9442 -6.9442 -6.2794 -6.2794 -6.2791 -6.2791 -5.7092 -5.7092 -5.6937 -5.6937 -5.6934 -5.6934 -3.8231 -3.8231 -3.7089 -3.7089 -3.7039 -3.7039 -1.5136 -1.5136 -1.5124 -1.5124 -0.7214 -0.7214 -0.7172 -0.7172 -0.6220 -0.6220 1.4409 1.4409 1.4442 1.4442 2.0872 2.0872 2.2942 2.2942 2.3000 2.3000 2.5081 2.5081 3.0535 3.0535 3.0704 3.0704 3.5497 3.5497 k = 0.4375 0.4375 0.4375 ( 6863 PWs) bands (ev): -23.9494 -23.9494 -23.7551 -23.7551 -23.7478 -23.7478 -23.7477 -23.7477 -18.4351 -18.4351 -16.9170 -16.9170 -16.8373 -16.8373 -16.8372 -16.8372 -14.3360 -14.3360 -11.5173 -11.5173 -7.6213 -7.6213 -7.6204 -7.6204 -7.6189 -7.6189 -7.1315 -7.1315 -7.1243 -7.1243 -7.0023 -7.0023 -6.2858 -6.2858 -6.2856 -6.2856 -5.7080 -5.7080 -5.6924 -5.6924 -5.6922 -5.6922 -3.7653 -3.7653 -3.6810 -3.6810 -3.6760 -3.6760 -1.5335 -1.5335 -1.5326 -1.5326 -0.7411 -0.7411 -0.7369 -0.7369 -0.6633 -0.6633 1.5149 1.5149 1.5181 1.5181 2.0865 2.0865 2.2666 2.2666 2.2724 2.2724 2.5723 2.5723 3.0095 3.0095 3.0266 3.0266 3.4769 3.4769 k = 0.4479 0.4479 0.4479 ( 6851 PWs) bands (ev): -23.9510 -23.9510 -23.7530 -23.7530 -23.7479 -23.7479 -23.7478 -23.7478 -18.4450 -18.4450 -16.8937 -16.8937 -16.8373 -16.8373 -16.8372 -16.8372 -14.3672 -14.3672 -11.4872 -11.4872 -7.6080 -7.6080 -7.6057 -7.6057 -7.6055 -7.6055 -7.1495 -7.1495 -7.1418 -7.1418 -7.0547 -7.0547 -6.2913 -6.2913 -6.2911 -6.2911 -5.7070 -5.7070 -5.6914 -5.6914 -5.6912 -5.6912 -3.7147 -3.7147 -3.6562 -3.6562 -3.6510 -3.6510 -1.5519 -1.5519 -1.5513 -1.5513 -0.7573 -0.7573 -0.7532 -0.7532 -0.7000 -0.7000 1.5867 1.5867 1.5896 1.5896 2.0858 2.0858 2.2351 2.2351 2.2407 2.2407 2.6369 2.6369 2.9713 2.9713 2.9885 2.9885 3.4047 3.4047 k = 0.4583 0.4583 0.4583 ( 6833 PWs) bands (ev): -23.9523 -23.9523 -23.7512 -23.7512 -23.7479 -23.7479 -23.7479 -23.7479 -18.4531 -18.4531 -16.8740 -16.8740 -16.8373 -16.8373 -16.8372 -16.8372 -14.3934 -14.3934 -11.4621 -11.4621 -7.5956 -7.5956 -7.5923 -7.5923 -7.5920 -7.5920 -7.1657 -7.1657 -7.1575 -7.1575 -7.1006 -7.1006 -6.2958 -6.2958 -6.2957 -6.2957 -5.7063 -5.7063 -5.6906 -5.6906 -5.6904 -5.6904 -3.6721 -3.6721 -3.6351 -3.6351 -3.6297 -3.6297 -1.5681 -1.5681 -1.5677 -1.5677 -0.7702 -0.7702 -0.7662 -0.7662 -0.7312 -0.7312 1.6555 1.6555 1.6580 1.6580 2.0853 2.0853 2.1998 2.1998 2.2055 2.2055 2.7013 2.7013 2.9396 2.9396 2.9569 2.9569 3.3339 3.3339 k = 0.4688 0.4687 0.4687 ( 6836 PWs) bands (ev): -23.9533 -23.9533 -23.7498 -23.7498 -23.7480 -23.7480 -23.7479 -23.7479 -18.4594 -18.4594 -16.8582 -16.8582 -16.8374 -16.8374 -16.8373 -16.8373 -14.4142 -14.4142 -11.4422 -11.4422 -7.5839 -7.5839 -7.5809 -7.5809 -7.5804 -7.5804 -7.1796 -7.1796 -7.1708 -7.1708 -7.1387 -7.1387 -6.2993 -6.2993 -6.2992 -6.2992 -5.7057 -5.7057 -5.6899 -5.6899 -5.6898 -5.6898 -3.6382 -3.6382 -3.6181 -3.6181 -3.6124 -3.6124 -1.5814 -1.5814 -1.5811 -1.5811 -0.7800 -0.7800 -0.7760 -0.7760 -0.7563 -0.7563 1.7195 1.7195 1.7215 1.7215 2.0848 2.0848 2.1621 2.1621 2.1680 2.1680 2.7639 2.7639 2.9149 2.9149 2.9320 2.9320 3.2659 3.2659 k = 0.4792 0.4792 0.4792 ( 6836 PWs) bands (ev): -23.9541 -23.9541 -23.7488 -23.7488 -23.7480 -23.7480 -23.7480 -23.7480 -18.4640 -18.4640 -16.8467 -16.8467 -16.8374 -16.8374 -16.8373 -16.8373 -14.4293 -14.4293 -11.4278 -11.4278 -7.5739 -7.5739 -7.5722 -7.5722 -7.5713 -7.5713 -7.1907 -7.1907 -7.1809 -7.1809 -7.1673 -7.1673 -6.3018 -6.3018 -6.3018 -6.3018 -5.7052 -5.7052 -5.6894 -5.6894 -5.6894 -5.6894 -3.6139 -3.6139 -3.6056 -3.6056 -3.5994 -3.5994 -1.5913 -1.5913 -1.5912 -1.5912 -0.7871 -0.7871 -0.7829 -0.7829 -0.7745 -0.7745 1.7758 1.7758 1.7771 1.7771 2.0841 2.0841 2.1249 2.1249 2.1310 2.1310 2.8215 2.8215 2.8979 2.8979 2.9141 2.9141 3.2036 3.2036 k = 0.4896 0.4896 0.4896 ( 6866 PWs) bands (ev): -23.9545 -23.9545 -23.7482 -23.7482 -23.7480 -23.7480 -23.7480 -23.7480 -18.4667 -18.4667 -16.8397 -16.8397 -16.8374 -16.8374 -16.8373 -16.8373 -14.4385 -14.4385 -11.4190 -11.4190 -7.5671 -7.5671 -7.5666 -7.5666 -7.5655 -7.5655 -7.1988 -7.1988 -7.1873 -7.1873 -7.1843 -7.1843 -6.3033 -6.3033 -6.3033 -6.3033 -5.7050 -5.7050 -5.6892 -5.6892 -5.6892 -5.6892 -3.5998 -3.5998 -3.5979 -3.5979 -3.5908 -3.5908 -1.5974 -1.5974 -1.5974 -1.5974 -0.7919 -0.7919 -0.7870 -0.7870 -0.7852 -0.7852 1.8179 1.8179 1.8184 1.8184 2.0820 2.0820 2.0959 2.0959 2.1009 2.1009 2.8636 2.8636 2.8924 2.8924 2.9034 2.9034 3.1540 3.1540 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -23.9547 -23.9547 -23.7481 -23.7481 -23.7480 -23.7480 -23.7480 -23.7480 -18.4676 -18.4676 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4416 -14.4416 -11.4161 -11.4161 -7.5647 -7.5647 -7.5647 -7.5647 -7.5634 -7.5634 -7.2022 -7.2022 -7.1895 -7.1895 -7.1895 -7.1895 -6.3038 -6.3038 -6.3038 -6.3038 -5.7049 -5.7049 -5.6891 -5.6891 -5.6891 -5.6891 -3.5954 -3.5954 -3.5954 -3.5954 -3.5876 -3.5876 -1.5995 -1.5995 -1.5995 -1.5995 -0.7938 -0.7938 -0.7884 -0.7884 -0.7884 -0.7884 1.8345 1.8345 1.8345 1.8345 2.0765 2.0765 2.0884 2.0884 2.0884 2.0884 2.8726 2.8726 2.8998 2.8998 2.8998 2.8998 3.1332 3.1332 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -23.9547 -23.9547 -23.7481 -23.7481 -23.7480 -23.7480 -23.7480 -23.7480 -18.4676 -18.4676 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4416 -14.4416 -11.4161 -11.4161 -7.5647 -7.5647 -7.5647 -7.5647 -7.5634 -7.5634 -7.2022 -7.2022 -7.1895 -7.1895 -7.1895 -7.1895 -6.3038 -6.3038 -6.3038 -6.3038 -5.7049 -5.7049 -5.6891 -5.6891 -5.6891 -5.6891 -3.5954 -3.5954 -3.5954 -3.5954 -3.5876 -3.5876 -1.5995 -1.5995 -1.5995 -1.5995 -0.7938 -0.7938 -0.7884 -0.7884 -0.7884 -0.7884 1.8345 1.8345 1.8345 1.8345 2.0765 2.0765 2.0884 2.0884 2.0884 2.0884 2.8726 2.8726 2.8998 2.8998 2.8998 2.8998 3.1332 3.1332 k = 0.4872 0.5000 0.4872 ( 6864 PWs) bands (ev): -23.9545 -23.9545 -23.7482 -23.7482 -23.7480 -23.7480 -23.7480 -23.7480 -18.4667 -18.4667 -16.8397 -16.8397 -16.8374 -16.8374 -16.8373 -16.8373 -14.4385 -14.4385 -11.4191 -11.4191 -7.5687 -7.5687 -7.5658 -7.5658 -7.5648 -7.5648 -7.1989 -7.1989 -7.1870 -7.1870 -7.1844 -7.1844 -6.3034 -6.3034 -6.3032 -6.3032 -5.7050 -5.7050 -5.6893 -5.6893 -5.6890 -5.6890 -3.5996 -3.5996 -3.5981 -3.5981 -3.5909 -3.5909 -1.5975 -1.5975 -1.5972 -1.5972 -0.7920 -0.7920 -0.7868 -0.7868 -0.7853 -0.7853 1.8105 1.8105 1.8261 1.8261 2.0788 2.0788 2.0936 2.0936 2.1061 2.1061 2.8636 2.8636 2.8923 2.8923 2.9032 2.9032 3.1542 3.1542 k = 0.4744 0.5000 0.4744 ( 6840 PWs) bands (ev): -23.9541 -23.9541 -23.7488 -23.7488 -23.7480 -23.7480 -23.7480 -23.7480 -18.4639 -18.4639 -16.8468 -16.8468 -16.8374 -16.8374 -16.8373 -16.8373 -14.4292 -14.4292 -11.4279 -11.4279 -7.5808 -7.5808 -7.5693 -7.5693 -7.5673 -7.5673 -7.1932 -7.1932 -7.1759 -7.1759 -7.1696 -7.1696 -6.3020 -6.3020 -6.3015 -6.3015 -5.7053 -5.7053 -5.6900 -5.6900 -5.6888 -5.6888 -3.6131 -3.6131 -3.6066 -3.6066 -3.5996 -3.5996 -1.5919 -1.5919 -1.5904 -1.5904 -0.7894 -0.7894 -0.7792 -0.7792 -0.7758 -0.7758 1.7531 1.7531 1.8034 1.8034 2.0696 2.0696 2.1156 2.1156 2.1511 2.1511 2.8220 2.8220 2.8973 2.8973 2.9137 2.9137 3.2044 3.2044 k = 0.4615 0.5000 0.4615 ( 6840 PWs) bands (ev): -23.9533 -23.9533 -23.7498 -23.7498 -23.7480 -23.7480 -23.7479 -23.7479 -18.4593 -18.4593 -16.8584 -16.8584 -16.8374 -16.8374 -16.8372 -16.8372 -14.4139 -14.4139 -11.4425 -11.4425 -7.5993 -7.5993 -7.5745 -7.5745 -7.5712 -7.5712 -7.1884 -7.1884 -7.1548 -7.1548 -7.1457 -7.1457 -6.2996 -6.2996 -6.2987 -6.2987 -5.7059 -5.7059 -5.6912 -5.6912 -5.6884 -5.6884 -3.6361 -3.6361 -3.6214 -3.6214 -3.6122 -3.6122 -1.5828 -1.5828 -1.5791 -1.5791 -0.7871 -0.7871 -0.7651 -0.7651 -0.7597 -0.7597 1.6804 1.6804 1.7715 1.7715 2.0526 2.0526 2.1472 2.1472 2.2039 2.2039 2.7650 2.7650 2.9130 2.9130 2.9312 2.9312 3.2677 3.2677 k = 0.4487 0.5000 0.4487 ( 6836 PWs) bands (ev): -23.9523 -23.9523 -23.7512 -23.7512 -23.7480 -23.7480 -23.7478 -23.7478 -18.4529 -18.4529 -16.8744 -16.8744 -16.8374 -16.8374 -16.8372 -16.8372 -14.3928 -14.3928 -11.4626 -11.4626 -7.6222 -7.6222 -7.5803 -7.5803 -7.5764 -7.5764 -7.1831 -7.1831 -7.1274 -7.1274 -7.1137 -7.1137 -6.2962 -6.2962 -6.2949 -6.2949 -5.7068 -5.7068 -5.6929 -5.6929 -5.6876 -5.6876 -3.6678 -3.6678 -3.6424 -3.6424 -3.6285 -3.6285 -1.5708 -1.5708 -1.5637 -1.5637 -0.7843 -0.7843 -0.7456 -0.7456 -0.7371 -0.7371 1.6003 1.6003 1.7344 1.7344 2.0298 2.0298 2.1841 2.1841 2.2555 2.2555 2.7034 2.7034 2.9361 2.9361 2.9552 2.9552 3.3370 3.3370 k = 0.4359 0.5000 0.4359 ( 6858 PWs) bands (ev): -23.9509 -23.9509 -23.7529 -23.7529 -23.7480 -23.7480 -23.7477 -23.7477 -18.4447 -18.4447 -16.8944 -16.8944 -16.8374 -16.8374 -16.8371 -16.8371 -14.3663 -14.3663 -11.4881 -11.4881 -7.6481 -7.6481 -7.5856 -7.5856 -7.5831 -7.5831 -7.1767 -7.1767 -7.0963 -7.0963 -7.0746 -7.0746 -6.2915 -6.2915 -6.2902 -6.2902 -5.7083 -5.7083 -5.6950 -5.6950 -5.6863 -5.6863 -3.7074 -3.7074 -3.6692 -3.6692 -3.6485 -3.6485 -1.5564 -1.5564 -1.5443 -1.5443 -0.7809 -0.7809 -0.7210 -0.7210 -0.7081 -0.7081 1.5159 1.5159 1.6942 1.6942 2.0021 2.0021 2.2240 2.2240 2.3022 2.3022 2.6404 2.6404 2.9662 2.9662 2.9852 2.9852 3.4094 3.4094 k = 0.4231 0.5000 0.4231 ( 6870 PWs) bands (ev): -23.9493 -23.9493 -23.7550 -23.7550 -23.7481 -23.7481 -23.7476 -23.7476 -18.4347 -18.4347 -16.9182 -16.9182 -16.8374 -16.8374 -16.8371 -16.8371 -14.3346 -14.3346 -11.5186 -11.5186 -7.6756 -7.6756 -7.5910 -7.5910 -7.5900 -7.5900 -7.1690 -7.1690 -7.0625 -7.0625 -7.0298 -7.0298 -6.2854 -6.2854 -6.2847 -6.2847 -5.7103 -5.7103 -5.6977 -5.6977 -5.6844 -5.6844 -3.7537 -3.7537 -3.7013 -3.7013 -3.6721 -3.6721 -1.5402 -1.5402 -1.5211 -1.5211 -0.7767 -0.7767 -0.6918 -0.6918 -0.6732 -0.6732 1.4289 1.4289 1.6522 1.6522 1.9705 1.9705 2.2657 2.2657 2.3422 2.3422 2.5773 2.5773 3.0031 3.0031 3.0207 3.0207 3.4837 3.4837 k = 0.4103 0.5000 0.4103 ( 6874 PWs) bands (ev): -23.9474 -23.9474 -23.7575 -23.7575 -23.7481 -23.7481 -23.7474 -23.7474 -18.4230 -18.4230 -16.9452 -16.9452 -16.8374 -16.8374 -16.8370 -16.8370 -14.2983 -14.2983 -11.5537 -11.5537 -7.7040 -7.7040 -7.6001 -7.6001 -7.5928 -7.5928 -7.1599 -7.1599 -7.0272 -7.0272 -6.9806 -6.9806 -6.2786 -6.2786 -6.2775 -6.2775 -5.7130 -5.7130 -5.7009 -5.7009 -5.6818 -5.6818 -3.8059 -3.8059 -3.7382 -3.7382 -3.6991 -3.6991 -1.5226 -1.5226 -1.4946 -1.4946 -0.7718 -0.7718 -0.6582 -0.6582 -0.6326 -0.6326 1.3400 1.3400 1.6090 1.6090 1.9358 1.9358 2.3084 2.3084 2.3747 2.3747 2.5148 2.5148 3.0453 3.0453 3.0621 3.0621 3.5589 3.5589 k = 0.3974 0.5000 0.3974 ( 6870 PWs) bands (ev): -23.9453 -23.9453 -23.7603 -23.7603 -23.7480 -23.7480 -23.7473 -23.7473 -18.4097 -18.4097 -16.9751 -16.9751 -16.8374 -16.8374 -16.8369 -16.8369 -14.2578 -14.2578 -11.5932 -11.5932 -7.7325 -7.7325 -7.6103 -7.6103 -7.5937 -7.5937 -7.1496 -7.1496 -6.9909 -6.9909 -6.9282 -6.9282 -6.2720 -6.2720 -6.2675 -6.2675 -5.7163 -5.7163 -5.7046 -5.7046 -5.6786 -5.6786 -3.8630 -3.8630 -3.7795 -3.7795 -3.7290 -3.7290 -1.5042 -1.5042 -1.4650 -1.4650 -0.7661 -0.7661 -0.6206 -0.6206 -0.5870 -0.5870 1.2497 1.2497 1.5652 1.5652 1.8986 1.8986 2.3519 2.3519 2.3996 2.3996 2.4536 2.4536 3.0897 3.0897 3.1112 3.1112 3.6347 3.6347 k = 0.3846 0.5000 0.3846 ( 6874 PWs) bands (ev): -23.9429 -23.9429 -23.7634 -23.7634 -23.7480 -23.7480 -23.7471 -23.7471 -18.3948 -18.3948 -17.0075 -17.0075 -16.8374 -16.8374 -16.8368 -16.8368 -14.2135 -14.2135 -11.6366 -11.6366 -7.7607 -7.7607 -7.6215 -7.6215 -7.5926 -7.5926 -7.1379 -7.1379 -6.9543 -6.9543 -6.8737 -6.8737 -6.2651 -6.2651 -6.2546 -6.2546 -5.7202 -5.7202 -5.7089 -5.7089 -5.6746 -5.6746 -3.9239 -3.9239 -3.8248 -3.8248 -3.7617 -3.7617 -1.4851 -1.4851 -1.4327 -1.4327 -0.7597 -0.7597 -0.5795 -0.5795 -0.5368 -0.5368 1.1584 1.1584 1.5209 1.5209 1.8596 1.8596 2.3920 2.3920 2.3961 2.3961 2.4191 2.4191 3.1346 3.1346 3.1680 3.1680 3.7104 3.7104 k = 0.3718 0.5000 0.3718 ( 6876 PWs) bands (ev): -23.9403 -23.9403 -23.7668 -23.7668 -23.7480 -23.7480 -23.7469 -23.7469 -18.3784 -18.3784 -17.0420 -17.0420 -16.8374 -16.8374 -16.8366 -16.8366 -14.1658 -14.1658 -11.6834 -11.6834 -7.7883 -7.7883 -7.6334 -7.6334 -7.5895 -7.5895 -7.1248 -7.1248 -6.9179 -6.9179 -6.8186 -6.8186 -6.2580 -6.2580 -6.2383 -6.2383 -5.7246 -5.7246 -5.7138 -5.7138 -5.6698 -5.6698 -3.9879 -3.9879 -3.8736 -3.8736 -3.7966 -3.7966 -1.4657 -1.4657 -1.3979 -1.3979 -0.7526 -0.7526 -0.5351 -0.5351 -0.4827 -0.4827 1.0664 1.0664 1.4763 1.4763 1.8191 1.8191 2.3339 2.3339 2.4309 2.4309 2.4403 2.4403 3.1804 3.1804 3.2306 3.2306 3.7855 3.7855 k = 0.3590 0.5000 0.3590 ( 6876 PWs) bands (ev): -23.9375 -23.9375 -23.7704 -23.7704 -23.7480 -23.7480 -23.7466 -23.7466 -18.3606 -18.3606 -17.0782 -17.0782 -16.8374 -16.8374 -16.8365 -16.8365 -14.1153 -14.1153 -11.7333 -11.7333 -7.8151 -7.8151 -7.6461 -7.6461 -7.5842 -7.5842 -7.1105 -7.1105 -6.8821 -6.8821 -6.7641 -6.7641 -6.2510 -6.2510 -6.2175 -6.2175 -5.7297 -5.7297 -5.7193 -5.7193 -5.6643 -5.6643 -4.0540 -4.0540 -3.9255 -3.9255 -3.8334 -3.8334 -1.4460 -1.4460 -1.3610 -1.3610 -0.7448 -0.7448 -0.4879 -0.4879 -0.4252 -0.4252 0.9738 0.9738 1.4316 1.4316 1.7775 1.7775 2.2767 2.2767 2.4381 2.4381 2.4846 2.4846 3.2273 3.2273 3.2973 3.2973 3.8595 3.8595 k = 0.3462 0.5000 0.3462 ( 6868 PWs) bands (ev): -23.9345 -23.9345 -23.7743 -23.7743 -23.7479 -23.7479 -23.7464 -23.7464 -18.3414 -18.3414 -17.1157 -17.1157 -16.8374 -16.8374 -16.8364 -16.8364 -14.0624 -14.0624 -11.7859 -11.7859 -7.8407 -7.8407 -7.6593 -7.6593 -7.5769 -7.5769 -7.0949 -7.0949 -6.8474 -6.8474 -6.7119 -6.7119 -6.2442 -6.2442 -6.1911 -6.1911 -5.7353 -5.7353 -5.7252 -5.7252 -5.6579 -5.6579 -4.1215 -4.1215 -3.9801 -3.9801 -3.8718 -3.8718 -1.4261 -1.4261 -1.3224 -1.3224 -0.7362 -0.7362 -0.4382 -0.4382 -0.3650 -0.3650 0.8810 0.8810 1.3869 1.3869 1.7352 1.7352 2.2212 2.2212 2.4409 2.4409 2.5292 2.5292 3.2751 3.2751 3.3670 3.3670 3.9316 3.9316 k = 0.3333 0.5000 0.3333 ( 6860 PWs) bands (ev): -23.9313 -23.9313 -23.7784 -23.7784 -23.7479 -23.7479 -23.7461 -23.7461 -18.3210 -18.3210 -17.1542 -17.1542 -16.8374 -16.8374 -16.8363 -16.8363 -14.0074 -14.0074 -11.8406 -11.8406 -7.8650 -7.8650 -7.6730 -7.6730 -7.5677 -7.5677 -7.0780 -7.0780 -6.8142 -6.8142 -6.6635 -6.6635 -6.2377 -6.2377 -6.1580 -6.1580 -5.7414 -5.7414 -5.7317 -5.7317 -5.6507 -5.6507 -4.1896 -4.1896 -4.0370 -4.0370 -3.9115 -3.9115 -1.4061 -1.4061 -1.2822 -1.2822 -0.7269 -0.7269 -0.3863 -0.3863 -0.3027 -0.3027 0.7880 0.7880 1.3422 1.3422 1.6924 1.6924 2.1675 2.1675 2.4400 2.4400 2.5737 2.5737 3.3237 3.3237 3.4386 3.4386 4.0010 4.0010 k = 0.3205 0.5000 0.3205 ( 6878 PWs) bands (ev): -23.9280 -23.9280 -23.7826 -23.7826 -23.7478 -23.7478 -23.7458 -23.7458 -18.2994 -18.2994 -17.1934 -17.1934 -16.8375 -16.8375 -16.8362 -16.8362 -13.9508 -13.9508 -11.8972 -11.8972 -7.8879 -7.8879 -7.6870 -7.6870 -7.5565 -7.5565 -7.0598 -7.0598 -6.7831 -6.7831 -6.6203 -6.6203 -6.2316 -6.2316 -6.1172 -6.1172 -5.7480 -5.7480 -5.7386 -5.7386 -5.6426 -5.6426 -4.2578 -4.2578 -4.0957 -4.0957 -3.9522 -3.9522 -1.3859 -1.3859 -1.2408 -1.2408 -0.7170 -0.7170 -0.3326 -0.3326 -0.2390 -0.2390 0.6951 0.6951 1.2977 1.2977 1.6491 1.6491 2.1158 2.1158 2.4357 2.4357 2.6183 2.6183 3.3728 3.3728 3.5116 3.5116 4.0663 4.0663 k = 0.3077 0.5000 0.3077 ( 6882 PWs) bands (ev): -23.9246 -23.9246 -23.7870 -23.7870 -23.7477 -23.7477 -23.7456 -23.7456 -18.2768 -18.2768 -17.2329 -17.2329 -16.8375 -16.8375 -16.8361 -16.8361 -13.8930 -13.8930 -11.9551 -11.9551 -7.9092 -7.9092 -7.7013 -7.7013 -7.5435 -7.5435 -7.0404 -7.0404 -6.7546 -6.7546 -6.5830 -6.5830 -6.2261 -6.2261 -6.0685 -6.0685 -5.7552 -5.7552 -5.7456 -5.7456 -5.6338 -5.6338 -4.3253 -4.3253 -4.1560 -4.1560 -3.9934 -3.9934 -1.3654 -1.3654 -1.1984 -1.1984 -0.7063 -0.7063 -0.2773 -0.2773 -0.1744 -0.1744 0.6023 0.6023 1.2533 1.2533 1.6058 1.6058 2.0663 2.0663 2.4285 2.4285 2.6628 2.6628 3.4223 3.4223 3.5853 3.5853 4.1257 4.1257 k = 0.2949 0.5000 0.2949 ( 6870 PWs) bands (ev): -23.9210 -23.9210 -23.7916 -23.7916 -23.7475 -23.7475 -23.7453 -23.7453 -18.2533 -18.2533 -17.2724 -17.2724 -16.8375 -16.8375 -16.8360 -16.8360 -13.8344 -13.8344 -12.0141 -12.0141 -7.9288 -7.9288 -7.7156 -7.7156 -7.5288 -7.5288 -7.0198 -7.0198 -6.7293 -6.7293 -6.5518 -6.5518 -6.2211 -6.2211 -6.0119 -6.0119 -5.7633 -5.7633 -5.7521 -5.7521 -5.6242 -5.6242 -4.3917 -4.3917 -4.2174 -4.2174 -4.0350 -4.0350 -1.3447 -1.3447 -1.1552 -1.1552 -0.6950 -0.6950 -0.2208 -0.2208 -0.1096 -0.1096 0.5098 0.5098 1.2093 1.2093 1.5624 1.5624 2.0192 2.0192 2.4186 2.4186 2.7072 2.7072 3.4720 3.4720 3.6593 3.6593 4.1770 4.1770 k = 0.2821 0.5000 0.2821 ( 6856 PWs) bands (ev): -23.9174 -23.9174 -23.7962 -23.7962 -23.7474 -23.7474 -23.7450 -23.7450 -18.2290 -18.2290 -17.3118 -17.3118 -16.8375 -16.8375 -16.8359 -16.8359 -13.7752 -13.7752 -12.0736 -12.0736 -7.9466 -7.9466 -7.7300 -7.7300 -7.5126 -7.5126 -6.9980 -6.9980 -6.7077 -6.7077 -6.5262 -6.5262 -6.2168 -6.2168 -5.9484 -5.9484 -5.7725 -5.7725 -5.7575 -5.7575 -5.6138 -5.6138 -4.4565 -4.4565 -4.2796 -4.2796 -4.0767 -4.0767 -1.3238 -1.3238 -1.1114 -1.1114 -0.6830 -0.6830 -0.1631 -0.1631 -0.0451 -0.0451 0.4178 0.4178 1.1656 1.1656 1.5191 1.5191 1.9748 1.9748 2.4063 2.4063 2.7515 2.7515 3.5217 3.5217 3.7332 3.7332 4.2169 4.2169 k = 0.2692 0.5000 0.2692 ( 6874 PWs) bands (ev): -23.9138 -23.9138 -23.8009 -23.8009 -23.7472 -23.7472 -23.7447 -23.7447 -18.2041 -18.2041 -17.3508 -17.3508 -16.8375 -16.8375 -16.8358 -16.8358 -13.7159 -13.7159 -12.1335 -12.1335 -7.9626 -7.9626 -7.7444 -7.7444 -7.4949 -7.4949 -6.9751 -6.9751 -6.6906 -6.6906 -6.5053 -6.5053 -6.2132 -6.2132 -5.8792 -5.8792 -5.7829 -5.7829 -5.7614 -5.7614 -5.6028 -5.6028 -4.5192 -4.5192 -4.3424 -4.3424 -4.1182 -4.1182 -1.3025 -1.3025 -1.0673 -1.0673 -0.6704 -0.6704 -0.1048 -0.1048 0.0184 0.0184 0.3266 0.3266 1.1223 1.1223 1.4759 1.4759 1.9331 1.9331 2.3917 2.3917 2.7957 2.7957 3.5714 3.5714 3.8066 3.8066 4.2421 4.2421 k = 0.2564 0.5000 0.2564 ( 6886 PWs) bands (ev): -23.9101 -23.9101 -23.8056 -23.8056 -23.7470 -23.7470 -23.7443 -23.7443 -18.1786 -18.1786 -17.3891 -17.3891 -16.8375 -16.8375 -16.8358 -16.8358 -13.6567 -13.6567 -12.1932 -12.1932 -7.9766 -7.9766 -7.7585 -7.7585 -7.4759 -7.4759 -6.9510 -6.9510 -6.6784 -6.6784 -6.4883 -6.4883 -6.2103 -6.2103 -5.8068 -5.8068 -5.7934 -5.7934 -5.7634 -5.7634 -5.5913 -5.5913 -4.5795 -4.5795 -4.4054 -4.4054 -4.1593 -4.1593 -1.2809 -1.2809 -1.0230 -1.0230 -0.6572 -0.6572 -0.0460 -0.0460 0.0804 0.0804 0.2363 0.2363 1.0795 1.0795 1.4331 1.4331 1.8947 1.8947 2.3749 2.3749 2.8397 2.8397 3.6207 3.6207 3.8794 3.8794 4.2501 4.2501 k = 0.2436 0.5000 0.2436 ( 6886 PWs) bands (ev): -23.9064 -23.9064 -23.8103 -23.8103 -23.7467 -23.7467 -23.7440 -23.7440 -18.1528 -18.1528 -17.4267 -17.4267 -16.8376 -16.8376 -16.8358 -16.8358 -13.5980 -13.5980 -12.2525 -12.2525 -7.9885 -7.9885 -7.7724 -7.7724 -7.4557 -7.4557 -6.9259 -6.9259 -6.6718 -6.6718 -6.4744 -6.4744 -6.2080 -6.2080 -5.8079 -5.8079 -5.7631 -5.7631 -5.7282 -5.7282 -5.5793 -5.5793 -4.6372 -4.6372 -4.4682 -4.4682 -4.1996 -4.1996 -1.2591 -1.2591 -0.9787 -0.9787 -0.6435 -0.6435 0.0125 0.0125 0.1403 0.1403 0.1478 0.1478 1.0373 1.0373 1.3908 1.3908 1.8597 1.8597 2.3561 2.3561 2.8834 2.8834 3.6698 3.6698 3.9513 3.9513 4.2408 4.2408 k = 0.2308 0.5000 0.2308 ( 6870 PWs) bands (ev): -23.9028 -23.9028 -23.8149 -23.8149 -23.7464 -23.7464 -23.7437 -23.7437 -18.1268 -18.1268 -17.4632 -17.4632 -16.8376 -16.8376 -16.8358 -16.8358 -13.5401 -13.5401 -12.3111 -12.3111 -7.9984 -7.9984 -7.7860 -7.7860 -7.4346 -7.4346 -6.8997 -6.8997 -6.6712 -6.6712 -6.4628 -6.4628 -6.2063 -6.2063 -5.8219 -5.8219 -5.7600 -5.7600 -5.6493 -5.6493 -5.5669 -5.5669 -4.6921 -4.6921 -4.5306 -4.5306 -4.2391 -4.2391 -1.2370 -1.2370 -0.9346 -0.9346 -0.6293 -0.6293 0.0467 0.0467 0.0850 0.0850 0.1975 0.1975 0.9958 0.9958 1.3489 1.3489 1.8286 1.8286 2.3353 2.3353 2.9269 2.9269 3.7183 3.7183 4.0222 4.0222 4.2162 4.2162 k = 0.2179 0.5000 0.2179 ( 6868 PWs) bands (ev): -23.8992 -23.8992 -23.8195 -23.8195 -23.7461 -23.7461 -23.7434 -23.7434 -18.1008 -18.1008 -17.4986 -17.4986 -16.8376 -16.8376 -16.8358 -16.8358 -13.4833 -13.4833 -12.3686 -12.3686 -8.0061 -8.0061 -7.7992 -7.7992 -7.4126 -7.4126 -6.8725 -6.8725 -6.6767 -6.6767 -6.4529 -6.4529 -6.2052 -6.2052 -5.8371 -5.8371 -5.7540 -5.7540 -5.5695 -5.5695 -5.5540 -5.5540 -4.7441 -4.7441 -4.5922 -4.5922 -4.2775 -4.2775 -1.2146 -1.2146 -0.8909 -0.8909 -0.6146 -0.6146 -0.0316 -0.0316 0.1362 0.1362 0.2513 0.2513 0.9550 0.9550 1.3077 1.3077 1.8018 1.8018 2.3126 2.3126 2.9700 2.9700 3.7662 3.7662 4.0917 4.0917 4.1801 4.1801 k = 0.2051 0.5000 0.2051 ( 6872 PWs) bands (ev): -23.8957 -23.8957 -23.8240 -23.8240 -23.7458 -23.7458 -23.7431 -23.7431 -18.0749 -18.0749 -17.5327 -17.5327 -16.8376 -16.8376 -16.8358 -16.8358 -13.4278 -13.4278 -12.4247 -12.4247 -8.0117 -8.0117 -7.8120 -7.8120 -7.3899 -7.3899 -6.8444 -6.8444 -6.6884 -6.6884 -6.4444 -6.4444 -6.2047 -6.2047 -5.8536 -5.8536 -5.7449 -5.7449 -5.5418 -5.5418 -5.4887 -5.4887 -4.7932 -4.7932 -4.6527 -4.6527 -4.3146 -4.3146 -1.1922 -1.1922 -0.8477 -0.8477 -0.5995 -0.5995 -0.1161 -0.1161 0.1952 0.1952 0.3012 0.3012 0.9151 0.9151 1.2671 1.2671 1.7796 1.7796 2.2882 2.2882 3.0127 3.0127 3.8134 3.8134 4.1357 4.1357 4.1599 4.1599 k = 0.1923 0.5000 0.1923 ( 6878 PWs) bands (ev): -23.8923 -23.8923 -23.8284 -23.8284 -23.7454 -23.7454 -23.7428 -23.7428 -18.0493 -18.0493 -17.5653 -17.5653 -16.8376 -16.8376 -16.8359 -16.8359 -13.3741 -13.3741 -12.4791 -12.4791 -8.0152 -8.0152 -7.8243 -7.8243 -7.3667 -7.3667 -6.8154 -6.8154 -6.7060 -6.7060 -6.4370 -6.4370 -6.2046 -6.2046 -5.8714 -5.8714 -5.7326 -5.7326 -5.5291 -5.5291 -5.4090 -5.4090 -4.8394 -4.8394 -4.7115 -4.7115 -4.3501 -4.3501 -1.1696 -1.1696 -0.8053 -0.8053 -0.5842 -0.5842 -0.1993 -0.1993 0.2544 0.2544 0.3465 0.3465 0.8761 0.8761 1.2274 1.2274 1.7623 1.7623 2.2622 2.2622 3.0550 3.0550 3.8597 3.8597 4.0859 4.0859 4.2265 4.2265 k = 0.1795 0.5000 0.1795 ( 6870 PWs) bands (ev): -23.8890 -23.8890 -23.8327 -23.8327 -23.7450 -23.7450 -23.7425 -23.7425 -18.0242 -18.0242 -17.5964 -17.5964 -16.8377 -16.8377 -16.8360 -16.8360 -13.3222 -13.3222 -12.5316 -12.5316 -8.0164 -8.0164 -7.8360 -7.8360 -7.3432 -7.3432 -6.7856 -6.7856 -6.7290 -6.7290 -6.4304 -6.4304 -6.2049 -6.2049 -5.8905 -5.8905 -5.7174 -5.7174 -5.5166 -5.5166 -5.3309 -5.3309 -4.8829 -4.8829 -4.7682 -4.7682 -4.3841 -4.3841 -1.1472 -1.1472 -0.7638 -0.7638 -0.5686 -0.5686 -0.2803 -0.2803 0.3131 0.3131 0.3870 0.3870 0.8383 0.8383 1.1887 1.1887 1.7504 1.7504 2.2346 2.2346 3.0967 3.0967 3.9051 3.9051 4.0326 4.0326 4.2914 4.2914 k = 0.1667 0.5000 0.1667 ( 6882 PWs) bands (ev): -23.8859 -23.8859 -23.8367 -23.8367 -23.7446 -23.7446 -23.7423 -23.7423 -17.9998 -17.9998 -17.6257 -17.6257 -16.8377 -16.8377 -16.8361 -16.8361 -13.2726 -13.2726 -12.5819 -12.5819 -8.0156 -8.0156 -7.8470 -7.8470 -7.3196 -7.3196 -6.7570 -6.7570 -6.7547 -6.7547 -6.4243 -6.4243 -6.2055 -6.2055 -5.9108 -5.9108 -5.6996 -5.6996 -5.5044 -5.5044 -5.2557 -5.2557 -4.9238 -4.9238 -4.8219 -4.8219 -4.4162 -4.4162 -1.1249 -1.1249 -0.7234 -0.7234 -0.5529 -0.5529 -0.3587 -0.3587 0.3712 0.3712 0.4221 0.4221 0.8017 0.8017 1.1511 1.1511 1.7439 1.7439 2.2057 2.2057 3.1377 3.1377 3.9492 3.9492 3.9775 3.9775 4.3545 4.3545 k = 0.1538 0.5000 0.1538 ( 6866 PWs) bands (ev): -23.8829 -23.8829 -23.8406 -23.8406 -23.7441 -23.7441 -23.7420 -23.7420 -17.9762 -17.9762 -17.6534 -17.6534 -16.8377 -16.8377 -16.8362 -16.8362 -13.2254 -13.2254 -12.6296 -12.6296 -8.0127 -8.0127 -7.8575 -7.8575 -7.2962 -7.2962 -6.7883 -6.7883 -6.7236 -6.7236 -6.4188 -6.4188 -6.2063 -6.2063 -5.9324 -5.9324 -5.6793 -5.6793 -5.4926 -5.4926 -5.1854 -5.1854 -4.9623 -4.9623 -4.8706 -4.8706 -4.4463 -4.4463 -1.1029 -1.1029 -0.6843 -0.6843 -0.5372 -0.5372 -0.4343 -0.4343 0.4282 0.4282 0.4518 0.4518 0.7665 0.7665 1.1148 1.1148 1.7429 1.7429 2.1758 2.1758 3.1779 3.1779 3.9216 3.9216 3.9921 3.9921 4.4158 4.4158 k = 0.1410 0.5000 0.1410 ( 6866 PWs) bands (ev): -23.8802 -23.8802 -23.8443 -23.8443 -23.7437 -23.7437 -23.7418 -23.7418 -17.9536 -17.9536 -17.6791 -17.6791 -16.8377 -16.8377 -16.8363 -16.8363 -13.1810 -13.1810 -12.6746 -12.6746 -8.0079 -8.0079 -7.8672 -7.8672 -7.2731 -7.2731 -6.8229 -6.8229 -6.6917 -6.6917 -6.4137 -6.4137 -6.2074 -6.2074 -5.9553 -5.9553 -5.6572 -5.6572 -5.4813 -5.4813 -5.1248 -5.1248 -4.9987 -4.9987 -4.9101 -4.9101 -4.4744 -4.4744 -1.0815 -1.0815 -0.6467 -0.6467 -0.5218 -0.5218 -0.5064 -0.5064 0.4755 0.4755 0.4843 0.4843 0.7329 0.7329 1.0800 1.0800 1.7470 1.7470 2.1449 2.1449 3.2171 3.2171 3.8659 3.8659 4.0335 4.0335 4.4749 4.4749 k = 0.1282 0.5000 0.1282 ( 6862 PWs) bands (ev): -23.8776 -23.8776 -23.8477 -23.8477 -23.7432 -23.7432 -23.7415 -23.7415 -17.9322 -17.9322 -17.7029 -17.7029 -16.8377 -16.8377 -16.8365 -16.8365 -13.1395 -13.1395 -12.7166 -12.7166 -8.0013 -8.0013 -7.8762 -7.8762 -7.2507 -7.2507 -6.8596 -6.8596 -6.6593 -6.6593 -6.4089 -6.4089 -6.2086 -6.2086 -5.9793 -5.9793 -5.6335 -5.6335 -5.4707 -5.4707 -5.0871 -5.0871 -5.0332 -5.0332 -4.9273 -4.9273 -4.5003 -4.5003 -1.0608 -1.0608 -0.6110 -0.6110 -0.5750 -0.5750 -0.5063 -0.5063 0.4947 0.4947 0.5382 0.5382 0.7010 0.7010 1.0468 1.0468 1.7559 1.7559 2.1136 2.1136 3.2551 3.2551 3.8112 3.8112 4.0732 4.0732 4.5294 4.5303 k = 0.1154 0.5000 0.1154 ( 6866 PWs) bands (ev): -23.8752 -23.8752 -23.8508 -23.8508 -23.7428 -23.7428 -23.7413 -23.7413 -17.9123 -17.9123 -17.7246 -17.7246 -16.8377 -16.8377 -16.8367 -16.8367 -13.1012 -13.1012 -12.7554 -12.7554 -7.9932 -7.9932 -7.8844 -7.8844 -7.2292 -7.2292 -6.8974 -6.8974 -6.6264 -6.6264 -6.4044 -6.4044 -6.2098 -6.2098 -6.0046 -6.0046 -5.6086 -5.6086 -5.4607 -5.4607 -5.0879 -5.0879 -5.0660 -5.0660 -4.9071 -4.9071 -4.5240 -4.5240 -1.0410 -1.0410 -0.6392 -0.6392 -0.5772 -0.5772 -0.4915 -0.4915 0.5088 0.5088 0.5901 0.5901 0.6712 0.6712 1.0156 1.0156 1.7689 1.7689 2.0820 2.0820 3.2917 3.2917 3.7583 3.7583 4.1109 4.1109 4.4968 4.4968 k = 0.1026 0.5000 0.1026 ( 6862 PWs) bands (ev): -23.8731 -23.8731 -23.8537 -23.8537 -23.7423 -23.7423 -23.7411 -23.7411 -17.8939 -17.8939 -17.7442 -17.7442 -16.8377 -16.8377 -16.8369 -16.8369 -13.0663 -13.0663 -12.7907 -12.7907 -7.9838 -7.9838 -7.8919 -7.8919 -7.2089 -7.2089 -6.9352 -6.9352 -6.5934 -6.5934 -6.4002 -6.4002 -6.2111 -6.2111 -6.0308 -6.0308 -5.5829 -5.5829 -5.4515 -5.4515 -5.1132 -5.1132 -5.0972 -5.0972 -4.8636 -4.8636 -4.5453 -4.5453 -1.0224 -1.0224 -0.6986 -0.6986 -0.5458 -0.5458 -0.4773 -0.4773 0.5186 0.5186 0.6369 0.6369 0.6462 0.6462 0.9864 0.9864 1.7850 1.7850 2.0508 2.0508 3.3265 3.3265 3.7079 3.7079 4.1465 4.1465 4.4621 4.4621 k = 0.0897 0.5000 0.0897 ( 6862 PWs) bands (ev): -23.8712 -23.8712 -23.8562 -23.8562 -23.7419 -23.7419 -23.7409 -23.7409 -17.8772 -17.8772 -17.7617 -17.7617 -16.8377 -16.8377 -16.8370 -16.8370 -13.0350 -13.0350 -12.8224 -12.8224 -7.9735 -7.9735 -7.8985 -7.8985 -7.1900 -7.1900 -6.9721 -6.9721 -6.5602 -6.5602 -6.3963 -6.3963 -6.2124 -6.2124 -6.0579 -6.0579 -5.5568 -5.5568 -5.4433 -5.4433 -5.1449 -5.1449 -5.1271 -5.1271 -4.8151 -4.8151 -4.5641 -4.5641 -1.0052 -1.0052 -0.7528 -0.7528 -0.5171 -0.5171 -0.4641 -0.4641 0.5250 0.5250 0.6175 0.6175 0.6867 0.6867 0.9597 0.9597 1.8033 1.8033 2.0205 2.0205 3.3592 3.3592 3.6608 3.6608 4.1795 4.1795 4.4294 4.4294 k = 0.0769 0.5000 0.0769 ( 6870 PWs) bands (ev): -23.8695 -23.8695 -23.8585 -23.8585 -23.7415 -23.7415 -23.7408 -23.7408 -17.8624 -17.8624 -17.7769 -17.7769 -16.8378 -16.8378 -16.8372 -16.8372 -13.0075 -13.0075 -12.8502 -12.8502 -7.9627 -7.9627 -7.9043 -7.9043 -7.1730 -7.1730 -7.0071 -7.0071 -6.5272 -6.5272 -6.3927 -6.3927 -6.2135 -6.2135 -6.0857 -6.0857 -5.5306 -5.5306 -5.4359 -5.4359 -5.1762 -5.1762 -5.1558 -5.1558 -4.7688 -4.7688 -4.5806 -4.5806 -0.9896 -0.9896 -0.8012 -0.8012 -0.4912 -0.4912 -0.4519 -0.4519 0.5285 0.5285 0.5950 0.5950 0.7293 0.7293 0.9357 0.9357 1.8224 1.8224 1.9916 1.9916 3.3894 3.3894 3.6177 3.6177 4.2096 4.2096 4.3992 4.3992 k = 0.0641 0.5000 0.0641 ( 6870 PWs) bands (ev): -23.8681 -23.8681 -23.8604 -23.8604 -23.7412 -23.7412 -23.7407 -23.7407 -17.8496 -17.8496 -17.7899 -17.7899 -16.8378 -16.8378 -16.8374 -16.8374 -12.9839 -12.9839 -12.8741 -12.8741 -7.9520 -7.9520 -7.9092 -7.9092 -7.1580 -7.1580 -7.0391 -7.0391 -6.4947 -6.4947 -6.3895 -6.3895 -6.2146 -6.2146 -6.1137 -6.1137 -5.5047 -5.5047 -5.4296 -5.4296 -5.2045 -5.2045 -5.1831 -5.1831 -4.7273 -4.7273 -4.5945 -4.5945 -0.9759 -0.9759 -0.8432 -0.8432 -0.4686 -0.4686 -0.4411 -0.4411 0.5300 0.5300 0.5752 0.5752 0.7676 0.7676 0.9146 0.9146 1.8414 1.8414 1.9650 1.9650 3.4164 3.4164 3.5793 3.5793 4.2364 4.2364 4.3720 4.3720 k = 0.0513 0.5000 0.0513 ( 6880 PWs) bands (ev): -23.8670 -23.8670 -23.8620 -23.8620 -23.7409 -23.7409 -23.7405 -23.7405 -17.8390 -17.8390 -17.8005 -17.8005 -16.8378 -16.8378 -16.8375 -16.8375 -12.9645 -12.9645 -12.8938 -12.8938 -7.9420 -7.9420 -7.9133 -7.9133 -7.1453 -7.1453 -7.0671 -7.0671 -6.4632 -6.4632 -6.3867 -6.3867 -6.2155 -6.2155 -6.1416 -6.1416 -5.4796 -5.4796 -5.4244 -5.4244 -5.2288 -5.2288 -5.2090 -5.2090 -4.6920 -4.6920 -4.6060 -4.6060 -0.9644 -0.9644 -0.8784 -0.8784 -0.4496 -0.4496 -0.4318 -0.4318 0.5302 0.5302 0.5587 0.5587 0.8007 0.8007 0.8969 0.8969 1.8588 1.8588 1.9416 1.9416 3.4398 3.4398 3.5466 3.5466 4.2594 4.2594 4.3485 4.3485 k = 0.0385 0.5000 0.0385 ( 6882 PWs) bands (ev): -23.8661 -23.8661 -23.8633 -23.8633 -23.7407 -23.7407 -23.7405 -23.7405 -17.8306 -17.8306 -17.8089 -17.8089 -16.8378 -16.8378 -16.8376 -16.8376 -12.9492 -12.9492 -12.9093 -12.9093 -7.9332 -7.9332 -7.9164 -7.9164 -7.1352 -7.1352 -7.0902 -7.0902 -6.4337 -6.4337 -6.3844 -6.3844 -6.2162 -6.2162 -6.1683 -6.1683 -5.4561 -5.4561 -5.4203 -5.4203 -5.2483 -5.2483 -5.2328 -5.2328 -4.6637 -4.6637 -4.6149 -4.6149 -0.9551 -0.9551 -0.9063 -0.9063 -0.4344 -0.4344 -0.4243 -0.4243 0.5296 0.5296 0.5455 0.5455 0.8276 0.8276 0.8828 0.8828 1.8738 1.8738 1.9220 1.9220 3.4589 3.4589 3.5202 3.5202 4.2780 4.2780 4.3292 4.3292 k = 0.0256 0.5000 0.0256 ( 6884 PWs) bands (ev): -23.8654 -23.8654 -23.8642 -23.8642 -23.7405 -23.7405 -23.7404 -23.7404 -17.8245 -17.8245 -17.8148 -17.8148 -16.8378 -16.8378 -16.8377 -16.8377 -12.9382 -12.9382 -12.9204 -12.9204 -7.9264 -7.9264 -7.9187 -7.9187 -7.1278 -7.1278 -7.1075 -7.1075 -6.4079 -6.4079 -6.3827 -6.3827 -6.2168 -6.2168 -6.1921 -6.1921 -5.4357 -5.4357 -5.4174 -5.4174 -5.2626 -5.2626 -5.2533 -5.2533 -4.6431 -4.6431 -4.6212 -4.6212 -0.9484 -0.9484 -0.9265 -0.9265 -0.4234 -0.4234 -0.4188 -0.4188 0.5289 0.5289 0.5359 0.5359 0.8477 0.8477 0.8725 0.8725 1.8852 1.8852 1.9073 1.9073 3.4731 3.4731 3.5008 3.5008 4.2918 4.2918 4.3149 4.3149 k = 0.0128 0.5000 0.0128 ( 6876 PWs) bands (ev): -23.8650 -23.8650 -23.8647 -23.8647 -23.7404 -23.7404 -23.7404 -23.7404 -17.8208 -17.8208 -17.8184 -17.8184 -16.8378 -16.8378 -16.8378 -16.8378 -12.9316 -12.9316 -12.9271 -12.9271 -7.9220 -7.9220 -7.9201 -7.9201 -7.1233 -7.1233 -7.1182 -7.1182 -6.3889 -6.3889 -6.3817 -6.3817 -6.2171 -6.2171 -6.2098 -6.2098 -5.4209 -5.4209 -5.4156 -5.4156 -5.2712 -5.2712 -5.2682 -5.2682 -4.6305 -4.6305 -4.6250 -4.6250 -0.9443 -0.9443 -0.9388 -0.9388 -0.4167 -0.4167 -0.4155 -0.4155 0.5283 0.5283 0.5301 0.5301 0.8600 0.8600 0.8663 0.8663 1.8924 1.8924 1.8982 1.8982 3.4819 3.4819 3.4889 3.4889 4.3002 4.3002 4.3061 4.3061 k = 0.0000 0.5000-0.0000 ( 6848 PWs) bands (ev): -23.8649 -23.8649 -23.8649 -23.8649 -23.7403 -23.7403 -23.7403 -23.7403 -17.8196 -17.8196 -17.8196 -17.8196 -16.8378 -16.8378 -16.8378 -16.8378 -12.9294 -12.9294 -12.9294 -12.9294 -7.9205 -7.9205 -7.9205 -7.9205 -7.1218 -7.1218 -7.1218 -7.1218 -6.3815 -6.3815 -6.3815 -6.3815 -6.2169 -6.2169 -6.2169 -6.2169 -5.4151 -5.4151 -5.4151 -5.4151 -5.2739 -5.2739 -5.2739 -5.2739 -4.6263 -4.6263 -4.6263 -4.6263 -0.9429 -0.9429 -0.9429 -0.9429 -0.4144 -0.4144 -0.4144 -0.4144 0.5281 0.5281 0.5281 0.5281 0.8642 0.8642 0.8642 0.8642 1.8950 1.8950 1.8950 1.8950 3.4849 3.4849 3.4849 3.4849 4.3031 4.3031 4.3031 4.3031 k = 0.5000 0.5000-0.0000 ( 6872 PWs) bands (ev): -23.8566 -23.8566 -23.8566 -23.8566 -23.7483 -23.7483 -23.7483 -23.7483 -17.8239 -17.8239 -17.8239 -17.8239 -16.8349 -16.8349 -16.8349 -16.8349 -12.9250 -12.9250 -12.9250 -12.9250 -8.0289 -8.0289 -8.0289 -8.0289 -7.0856 -7.0856 -7.0856 -7.0856 -6.3575 -6.3575 -6.3575 -6.3575 -6.0389 -6.0389 -6.0389 -6.0389 -5.5078 -5.5078 -5.5078 -5.5078 -5.3158 -5.3158 -5.3158 -5.3158 -4.6053 -4.6053 -4.6053 -4.6053 -0.9297 -0.9297 -0.9297 -0.9297 -0.4473 -0.4473 -0.4473 -0.4473 0.4514 0.4514 0.4514 0.4514 0.9646 0.9646 0.9646 0.9646 1.8749 1.8749 1.8749 1.8749 3.4798 3.4798 3.4798 3.4798 4.3105 4.3105 4.3105 4.3105 k = 0.5000 0.5000 0.0179 ( 6872 PWs) bands (ev): -23.8623 -23.8623 -23.8508 -23.8508 -23.7483 -23.7483 -23.7483 -23.7483 -17.8651 -17.8651 -17.7819 -17.7819 -16.8349 -16.8349 -16.8349 -16.8349 -13.0023 -13.0023 -12.8476 -12.8476 -8.0281 -8.0281 -8.0280 -8.0280 -7.0867 -7.0867 -7.0857 -7.0857 -6.3601 -6.3601 -6.3591 -6.3591 -6.0554 -6.0554 -6.0222 -6.0222 -5.5104 -5.5104 -5.5089 -5.5089 -5.3924 -5.3924 -5.2378 -5.2378 -4.6012 -4.6012 -4.6011 -4.6011 -0.9459 -0.9459 -0.9148 -0.9148 -0.5190 -0.5190 -0.3740 -0.3740 0.4412 0.4412 0.4434 0.4434 0.9718 0.9718 0.9744 0.9744 1.8647 1.8647 1.8866 1.8866 3.4776 3.4776 3.4789 3.4789 4.2416 4.2416 4.3777 4.3777 k = 0.5000 0.5000 0.0357 ( 6896 PWs) bands (ev): -23.8680 -23.8680 -23.8450 -23.8450 -23.7483 -23.7483 -23.7483 -23.7483 -17.9054 -17.9054 -17.7391 -17.7391 -16.8349 -16.8349 -16.8349 -16.8349 -13.0795 -13.0795 -12.7703 -12.7703 -8.0257 -8.0257 -8.0255 -8.0255 -7.0888 -7.0888 -7.0872 -7.0872 -6.3670 -6.3670 -6.3650 -6.3650 -6.0716 -6.0716 -6.0052 -6.0052 -5.5163 -5.5163 -5.5133 -5.5133 -5.4672 -5.4672 -5.1586 -5.1586 -4.5887 -4.5887 -4.5886 -4.5886 -0.9634 -0.9634 -0.9011 -0.9011 -0.5893 -0.5893 -0.2993 -0.2993 0.4148 0.4148 0.4188 0.4188 0.9946 0.9946 0.9993 0.9993 1.8559 1.8559 1.8999 1.8999 3.4723 3.4723 3.4748 3.4748 4.1710 4.1710 4.4432 4.4432 k = 0.5000 0.5000 0.0536 ( 6880 PWs) bands (ev): -23.8737 -23.8737 -23.8392 -23.8392 -23.7483 -23.7483 -23.7483 -23.7483 -17.9446 -17.9446 -17.6956 -17.6956 -16.8350 -16.8350 -16.8349 -16.8349 -13.1564 -13.1564 -12.6932 -12.6932 -8.0217 -8.0217 -8.0214 -8.0214 -7.0917 -7.0917 -7.0901 -7.0901 -6.3780 -6.3780 -6.3751 -6.3751 -6.0875 -6.0875 -5.9882 -5.9882 -5.5408 -5.5408 -5.5243 -5.5243 -5.5208 -5.5208 -5.0785 -5.0785 -4.5685 -4.5685 -4.5683 -4.5683 -0.9824 -0.9824 -0.8886 -0.8886 -0.6578 -0.6578 -0.2232 -0.2232 0.3758 0.3758 0.3811 0.3811 1.0294 1.0294 1.0356 1.0356 1.8484 1.8484 1.9150 1.9150 3.4640 3.4640 3.4677 3.4677 4.0989 4.0989 4.5069 4.5069 k = 0.5000 0.5000 0.0714 ( 6892 PWs) bands (ev): -23.8792 -23.8792 -23.8334 -23.8334 -23.7483 -23.7483 -23.7483 -23.7483 -17.9828 -17.9828 -17.6515 -17.6515 -16.8350 -16.8350 -16.8350 -16.8350 -13.2328 -13.2328 -12.6165 -12.6165 -8.0161 -8.0161 -8.0157 -8.0157 -7.0954 -7.0954 -7.0948 -7.0948 -6.3931 -6.3931 -6.3893 -6.3893 -6.1031 -6.1031 -5.9710 -5.9710 -5.6110 -5.6110 -5.5358 -5.5358 -5.5306 -5.5306 -4.9978 -4.9978 -4.5412 -4.5412 -4.5411 -4.5411 -1.0027 -1.0027 -0.8773 -0.8773 -0.7246 -0.7246 -0.1458 -0.1458 0.3281 0.3281 0.3341 0.3341 1.0724 1.0724 1.0797 1.0797 1.8422 1.8422 1.9319 1.9319 3.4527 3.4527 3.4576 3.4576 4.0253 4.0253 4.5686 4.5686 k = 0.5000 0.5000 0.0893 ( 6884 PWs) bands (ev): -23.8847 -23.8847 -23.8277 -23.8277 -23.7483 -23.7483 -23.7483 -23.7483 -18.0199 -18.0199 -17.6069 -17.6069 -16.8351 -16.8351 -16.8351 -16.8351 -13.3086 -13.3086 -12.5404 -12.5404 -8.0088 -8.0088 -8.0083 -8.0083 -7.1013 -7.1013 -7.0997 -7.0997 -6.4121 -6.4121 -6.4075 -6.4075 -6.1183 -6.1183 -5.9538 -5.9538 -5.6789 -5.6789 -5.5484 -5.5484 -5.5421 -5.5421 -4.9167 -4.9167 -4.5077 -4.5077 -4.5077 -4.5077 -1.0244 -1.0244 -0.8670 -0.8670 -0.7896 -0.7896 -0.0672 -0.0672 0.2744 0.2744 0.2810 0.2810 1.1206 1.1206 1.1287 1.1287 1.8370 1.8370 1.9508 1.9508 3.4386 3.4386 3.4446 3.4446 3.9503 3.9503 4.6284 4.6284 k = 0.5000 0.5000 0.1071 ( 6884 PWs) bands (ev): -23.8900 -23.8900 -23.8220 -23.8220 -23.7483 -23.7483 -23.7483 -23.7483 -18.0559 -18.0559 -17.5618 -17.5618 -16.8352 -16.8352 -16.8351 -16.8351 -13.3837 -13.3837 -12.4649 -12.4649 -8.0000 -8.0000 -7.9993 -7.9993 -7.1100 -7.1100 -7.1045 -7.1045 -6.4348 -6.4348 -6.4296 -6.4296 -6.1330 -6.1330 -5.9367 -5.9367 -5.7439 -5.7439 -5.5619 -5.5619 -5.5546 -5.5546 -4.8354 -4.8354 -4.4692 -4.4692 -4.4690 -4.4690 -1.0476 -1.0476 -0.8587 -0.8587 -0.8516 -0.8516 0.0126 0.0126 0.2168 0.2168 0.2236 0.2236 1.1721 1.1721 1.1808 1.1808 1.8329 1.8329 1.9716 1.9716 3.4220 3.4220 3.4289 3.4289 3.8739 3.8739 4.6861 4.6861 k = 0.5000 0.5000 0.1250 ( 6892 PWs) bands (ev): -23.8952 -23.8952 -23.8164 -23.8164 -23.7483 -23.7483 -23.7483 -23.7483 -18.0906 -18.0906 -17.5165 -17.5165 -16.8353 -16.8353 -16.8352 -16.8352 -13.4579 -13.4579 -12.3903 -12.3903 -7.9895 -7.9895 -7.9888 -7.9888 -7.1209 -7.1209 -7.1096 -7.1096 -6.4611 -6.4611 -6.4552 -6.4552 -6.1473 -6.1473 -5.9197 -5.9197 -5.8057 -5.8057 -5.5757 -5.5757 -5.5676 -5.5676 -4.7541 -4.7541 -4.4263 -4.4263 -4.4260 -4.4260 -1.0721 -1.0721 -0.9141 -0.9141 -0.8490 -0.8490 0.0933 0.0933 0.1566 0.1566 0.1637 0.1637 1.2255 1.2255 1.2346 1.2346 1.8297 1.8297 1.9944 1.9944 3.4028 3.4028 3.4108 3.4108 3.7962 3.7962 4.7418 4.7418 k = 0.5000 0.5000 0.1429 ( 6888 PWs) bands (ev): -23.9003 -23.9003 -23.8109 -23.8109 -23.7483 -23.7483 -23.7483 -23.7483 -18.1240 -18.1240 -17.4710 -17.4710 -16.8354 -16.8354 -16.8353 -16.8353 -13.5312 -13.5312 -12.3166 -12.3166 -7.9775 -7.9775 -7.9767 -7.9767 -7.1341 -7.1341 -7.1151 -7.1151 -6.4906 -6.4906 -6.4842 -6.4842 -6.1611 -6.1611 -5.9031 -5.9031 -5.8635 -5.8635 -5.5892 -5.5892 -5.5805 -5.5805 -4.6732 -4.6732 -4.3800 -4.3800 -4.3794 -4.3794 -1.0981 -1.0981 -0.9732 -0.9732 -0.8415 -0.8415 0.0947 0.0947 0.1013 0.1013 0.1757 0.1757 1.2800 1.2800 1.2893 1.2893 1.8272 1.8272 2.0195 2.0195 3.3815 3.3815 3.3903 3.3903 3.7172 3.7172 4.7650 4.7650 k = 0.5000 0.5000 0.1607 ( 6868 PWs) bands (ev): -23.9052 -23.9052 -23.8055 -23.8055 -23.7483 -23.7483 -23.7482 -23.7482 -18.1561 -18.1561 -17.4255 -17.4255 -16.8355 -16.8355 -16.8354 -16.8354 -13.6032 -13.6032 -12.2442 -12.2442 -7.9640 -7.9640 -7.9630 -7.9630 -7.1499 -7.1499 -7.1207 -7.1207 -6.5230 -6.5230 -6.5162 -6.5162 -6.1743 -6.1743 -5.9195 -5.9195 -5.8849 -5.8849 -5.6021 -5.6021 -5.5929 -5.5929 -4.5928 -4.5928 -4.3309 -4.3309 -4.3300 -4.3300 -1.1253 -1.1253 -1.0301 -1.0301 -0.8347 -0.8347 0.0319 0.0319 0.0386 0.0386 0.2585 0.2585 1.3349 1.3349 1.3445 1.3445 1.8255 1.8255 2.0466 2.0466 3.3581 3.3581 3.3678 3.3678 3.6371 3.6371 4.6666 4.6666 k = 0.5000 0.5000 0.1786 ( 6876 PWs) bands (ev): -23.9099 -23.9099 -23.8003 -23.8003 -23.7483 -23.7483 -23.7482 -23.7482 -18.1868 -18.1868 -17.3800 -17.3800 -16.8356 -16.8356 -16.8356 -16.8356 -13.6739 -13.6739 -12.1732 -12.1732 -7.9489 -7.9489 -7.9479 -7.9479 -7.1682 -7.1682 -7.1265 -7.1265 -6.5580 -6.5580 -6.5509 -6.5509 -6.1870 -6.1870 -5.9695 -5.9695 -5.8689 -5.8689 -5.6143 -5.6143 -5.6047 -5.6047 -4.5131 -4.5131 -4.2797 -4.2797 -4.2786 -4.2786 -1.1537 -1.1537 -1.0849 -1.0849 -0.8287 -0.8287 -0.0315 -0.0315 -0.0249 -0.0249 0.3423 0.3423 1.3899 1.3899 1.3996 1.3996 1.8243 1.8243 2.0760 2.0760 3.3328 3.3328 3.3433 3.3433 3.5559 3.5559 4.5691 4.5691 k = 0.5000 0.5000 0.1964 ( 6876 PWs) bands (ev): -23.9145 -23.9145 -23.7952 -23.7952 -23.7482 -23.7482 -23.7482 -23.7482 -18.2161 -18.2161 -17.3348 -17.3348 -16.8357 -16.8357 -16.8357 -16.8357 -13.7431 -13.7431 -12.1038 -12.1038 -7.9324 -7.9324 -7.9312 -7.9312 -7.1891 -7.1891 -7.1324 -7.1324 -6.5953 -6.5953 -6.5880 -6.5880 -6.1992 -6.1992 -6.0158 -6.0158 -5.8529 -5.8529 -5.6256 -5.6256 -5.6156 -5.6156 -4.4345 -4.4345 -4.2271 -4.2271 -4.2257 -4.2257 -1.1832 -1.1832 -1.1374 -1.1374 -0.8233 -0.8233 -0.0948 -0.0948 -0.0883 -0.0883 0.4269 0.4269 1.4445 1.4445 1.4544 1.4544 1.8237 1.8237 2.1076 2.1076 3.3060 3.3060 3.3172 3.3172 3.4737 3.4737 4.4723 4.4723 k = 0.5000 0.5000 0.2143 ( 6876 PWs) bands (ev): -23.9188 -23.9188 -23.7903 -23.7903 -23.7482 -23.7482 -23.7482 -23.7482 -18.2440 -18.2440 -17.2901 -17.2901 -16.8359 -16.8359 -16.8358 -16.8358 -13.8105 -13.8105 -12.0361 -12.0361 -7.9144 -7.9144 -7.9131 -7.9131 -7.2123 -7.2123 -7.1382 -7.1382 -6.6344 -6.6344 -6.6270 -6.6270 -6.2108 -6.2108 -6.0579 -6.0579 -5.8371 -5.8371 -5.6358 -5.6358 -5.6257 -5.6257 -4.3571 -4.3571 -4.1737 -4.1737 -4.1719 -4.1719 -1.2138 -1.2138 -1.1875 -1.1875 -0.8185 -0.8185 -0.1577 -0.1577 -0.1514 -0.1514 0.5124 0.5124 1.4987 1.4987 1.5086 1.5086 1.8235 1.8235 2.1416 2.1416 3.2777 3.2777 3.2896 3.2896 3.3905 3.3905 4.3765 4.3765 k = 0.5000 0.5000 0.2321 ( 6896 PWs) bands (ev): -23.9230 -23.9230 -23.7856 -23.7856 -23.7482 -23.7482 -23.7482 -23.7482 -18.2704 -18.2704 -17.2459 -17.2459 -16.8360 -16.8360 -16.8359 -16.8359 -13.8760 -13.8760 -11.9706 -11.9706 -7.8950 -7.8950 -7.8936 -7.8936 -7.2377 -7.2377 -7.1440 -7.1440 -6.6752 -6.6752 -6.6676 -6.6676 -6.2217 -6.2217 -6.0958 -6.0958 -5.8219 -5.8219 -5.6451 -5.6451 -5.6348 -5.6348 -4.2813 -4.2813 -4.1198 -4.1198 -4.1177 -4.1177 -1.2452 -1.2452 -1.2352 -1.2352 -0.8142 -0.8142 -0.2198 -0.2198 -0.2138 -0.2138 0.5986 0.5986 1.5521 1.5521 1.5620 1.5620 1.8237 1.8237 2.1778 2.1778 3.2482 3.2482 3.2608 3.2608 3.3064 3.3064 4.2817 4.2817 k = 0.5000 0.5000 0.2500 ( 6920 PWs) bands (ev): -23.9269 -23.9269 -23.7811 -23.7811 -23.7482 -23.7482 -23.7482 -23.7482 -18.2952 -18.2952 -17.2026 -17.2026 -16.8361 -16.8361 -16.8361 -16.8361 -13.9394 -13.9394 -11.9073 -11.9073 -7.8742 -7.8742 -7.8728 -7.8728 -7.2650 -7.2650 -7.1497 -7.1497 -6.7171 -6.7171 -6.7094 -6.7094 -6.2321 -6.2321 -6.1296 -6.1296 -5.8072 -5.8072 -5.6533 -5.6533 -5.6430 -5.6430 -4.2073 -4.2073 -4.0662 -4.0662 -4.0638 -4.0638 -1.2802 -1.2802 -1.2772 -1.2772 -0.8104 -0.8104 -0.2809 -0.2809 -0.2750 -0.2750 0.6855 0.6855 1.6046 1.6046 1.6145 1.6145 1.8241 1.8241 2.2163 2.2163 3.2162 3.2162 3.2230 3.2230 3.2309 3.2309 4.1881 4.1881 k = 0.5000 0.5000 0.2679 ( 6892 PWs) bands (ev): -23.9306 -23.9306 -23.7768 -23.7768 -23.7482 -23.7482 -23.7481 -23.7481 -18.3185 -18.3185 -17.1603 -17.1603 -16.8363 -16.8363 -16.8362 -16.8362 -14.0004 -14.0004 -11.8465 -11.8465 -7.8521 -7.8521 -7.8507 -7.8507 -7.2938 -7.2938 -7.1551 -7.1551 -6.7599 -6.7599 -6.7522 -6.7522 -6.2417 -6.2417 -6.1595 -6.1595 -5.7931 -5.7931 -5.6607 -5.6607 -5.6503 -5.6503 -4.1355 -4.1355 -4.0131 -4.0131 -4.0104 -4.0104 -1.3227 -1.3227 -1.3096 -1.3096 -0.8071 -0.8071 -0.3404 -0.3404 -0.3347 -0.3347 0.7730 0.7730 1.6560 1.6560 1.6659 1.6659 1.8248 1.8248 2.2571 2.2571 3.1354 3.1354 3.1870 3.1870 3.2003 3.2003 4.0957 4.0957 k = 0.5000 0.5000 0.2857 ( 6900 PWs) bands (ev): -23.9341 -23.9341 -23.7727 -23.7727 -23.7482 -23.7482 -23.7481 -23.7481 -18.3402 -18.3402 -17.1193 -17.1193 -16.8364 -16.8364 -16.8363 -16.8363 -14.0588 -14.0588 -11.7886 -11.7886 -7.8289 -7.8289 -7.8273 -7.8273 -7.3235 -7.3235 -7.1604 -7.1604 -6.8032 -6.8032 -6.7955 -6.7955 -6.2508 -6.2508 -6.1856 -6.1856 -5.7797 -5.7797 -5.6672 -5.6672 -5.6569 -5.6569 -4.0663 -4.0663 -3.9611 -3.9611 -3.9581 -3.9581 -1.3624 -1.3624 -1.3421 -1.3421 -0.8042 -0.8042 -0.3980 -0.3980 -0.3926 -0.3926 0.8610 0.8610 1.7061 1.7061 1.7160 1.7160 1.8257 1.8257 2.3002 2.3002 3.0491 3.0491 3.1553 3.1553 3.1692 3.1692 4.0046 4.0046 k = 0.5000 0.5000 0.3036 ( 6904 PWs) bands (ev): -23.9373 -23.9373 -23.7690 -23.7690 -23.7482 -23.7482 -23.7481 -23.7481 -18.3603 -18.3603 -17.0799 -17.0799 -16.8366 -16.8366 -16.8365 -16.8365 -14.1142 -14.1142 -11.7338 -11.7338 -7.8045 -7.8045 -7.8029 -7.8029 -7.3537 -7.3537 -7.1654 -7.1654 -6.8467 -6.8467 -6.8391 -6.8391 -6.2591 -6.2591 -6.2082 -6.2082 -5.7671 -5.7671 -5.6729 -5.6729 -5.6626 -5.6626 -3.9999 -3.9999 -3.9108 -3.9108 -3.9074 -3.9074 -1.3992 -1.3992 -1.3745 -1.3745 -0.8017 -0.8017 -0.4534 -0.4534 -0.4482 -0.4482 0.9495 0.9495 1.7548 1.7548 1.7645 1.7645 1.8266 1.8266 2.3455 2.3455 2.9621 2.9621 3.1234 3.1234 3.1378 3.1378 3.9148 3.9148 k = 0.5000 0.5000 0.3214 ( 6904 PWs) bands (ev): -23.9402 -23.9402 -23.7655 -23.7655 -23.7481 -23.7481 -23.7481 -23.7481 -18.3787 -18.3787 -17.0423 -17.0423 -16.8367 -16.8367 -16.8366 -16.8366 -14.1665 -14.1665 -11.6824 -11.6824 -7.7791 -7.7791 -7.7775 -7.7775 -7.3838 -7.3838 -7.1700 -7.1700 -6.8902 -6.8902 -6.8826 -6.8826 -6.2668 -6.2668 -6.2277 -6.2277 -5.7554 -5.7554 -5.6778 -5.6778 -5.6677 -5.6677 -3.9368 -3.9368 -3.8625 -3.8625 -3.8588 -3.8588 -1.4332 -1.4332 -1.4064 -1.4064 -0.7994 -0.7994 -0.5061 -0.5061 -0.5011 -0.5011 1.0383 1.0383 1.8017 1.8017 1.8113 1.8113 1.8277 1.8277 2.3930 2.3930 2.8746 2.8746 3.0916 3.0916 3.1064 3.1064 3.8266 3.8266 k = 0.5000 0.5000 0.3393 ( 6888 PWs) bands (ev): -23.9429 -23.9429 -23.7622 -23.7622 -23.7481 -23.7481 -23.7481 -23.7481 -18.3954 -18.3954 -17.0069 -17.0069 -16.8368 -16.8368 -16.8367 -16.8367 -14.2151 -14.2151 -11.6346 -11.6346 -7.7529 -7.7529 -7.7513 -7.7513 -7.4133 -7.4133 -7.1744 -7.1744 -6.9332 -6.9332 -6.9256 -6.9256 -6.2738 -6.2738 -6.2443 -6.2443 -5.7446 -5.7446 -5.6820 -5.6820 -5.6721 -5.6721 -3.8775 -3.8775 -3.8167 -3.8167 -3.8127 -3.8127 -1.4642 -1.4642 -1.4374 -1.4374 -0.7975 -0.7975 -0.5557 -0.5557 -0.5509 -0.5509 1.1275 1.1275 1.8288 1.8288 1.8466 1.8466 1.8561 1.8561 2.4427 2.4427 2.7867 2.7867 3.0602 3.0602 3.0755 3.0755 3.7399 3.7399 k = 0.5000 0.5000 0.3571 ( 6872 PWs) bands (ev): -23.9454 -23.9454 -23.7593 -23.7593 -23.7481 -23.7481 -23.7481 -23.7481 -18.4105 -18.4105 -16.9740 -16.9740 -16.8369 -16.8369 -16.8368 -16.8368 -14.2600 -14.2600 -11.5908 -11.5908 -7.7261 -7.7261 -7.7245 -7.7245 -7.4414 -7.4414 -7.1783 -7.1783 -6.9754 -6.9754 -6.9678 -6.9678 -6.2800 -6.2800 -6.2583 -6.2583 -5.7348 -5.7348 -5.6855 -5.6855 -5.6759 -5.6759 -3.8223 -3.8223 -3.7740 -3.7740 -3.7697 -3.7697 -1.4922 -1.4922 -1.4670 -1.4670 -0.7959 -0.7959 -0.6017 -0.6017 -0.5971 -0.5971 1.2168 1.2168 1.8298 1.8298 1.8891 1.8891 1.8984 1.8984 2.4944 2.4944 2.6984 2.6984 3.0297 3.0297 3.0453 3.0453 3.6550 3.6550 k = 0.5000 0.5000 0.3750 ( 6864 PWs) bands (ev): -23.9475 -23.9475 -23.7567 -23.7567 -23.7481 -23.7481 -23.7481 -23.7481 -18.4238 -18.4238 -16.9439 -16.9439 -16.8370 -16.8370 -16.8369 -16.8369 -14.3006 -14.3006 -11.5514 -11.5514 -7.6990 -7.6990 -7.6974 -7.6974 -7.4678 -7.4678 -7.1819 -7.1819 -7.0164 -7.0164 -7.0088 -7.0088 -6.2856 -6.2856 -6.2700 -6.2700 -5.7262 -5.7262 -5.6884 -5.6884 -5.6791 -5.6791 -3.7720 -3.7720 -3.7348 -3.7348 -3.7302 -3.7302 -1.5171 -1.5171 -1.4949 -1.4949 -0.7945 -0.7945 -0.6437 -0.6437 -0.6394 -0.6394 1.3062 1.3062 1.8308 1.8308 1.9289 1.9289 1.9380 1.9380 2.5480 2.5480 2.6100 2.6100 3.0003 3.0003 3.0163 3.0163 3.5721 3.5721 k = 0.5000 0.5000 0.3929 ( 6860 PWs) bands (ev): -23.9494 -23.9494 -23.7544 -23.7544 -23.7481 -23.7481 -23.7480 -23.7480 -18.4354 -18.4354 -16.9169 -16.9169 -16.8371 -16.8371 -16.8370 -16.8370 -14.3367 -14.3367 -11.5164 -11.5164 -7.6720 -7.6720 -7.6704 -7.6704 -7.4918 -7.4918 -7.1851 -7.1851 -7.0556 -7.0556 -7.0480 -7.0480 -6.2904 -6.2904 -6.2796 -6.2796 -5.7189 -5.7189 -5.6905 -5.6905 -5.6819 -5.6819 -3.7268 -3.7268 -3.6995 -3.6995 -3.6947 -3.6947 -1.5387 -1.5387 -1.5204 -1.5204 -0.7933 -0.7933 -0.6814 -0.6814 -0.6772 -0.6772 1.3953 1.3953 1.8317 1.8317 1.9654 1.9654 1.9743 1.9743 2.5216 2.5216 2.6033 2.6033 2.9728 2.9728 2.9892 2.9892 3.4912 3.4912 k = 0.5000 0.5000 0.4107 ( 6856 PWs) bands (ev): -23.9510 -23.9510 -23.7525 -23.7525 -23.7481 -23.7481 -23.7480 -23.7480 -18.4452 -18.4452 -16.8934 -16.8934 -16.8372 -16.8372 -16.8371 -16.8371 -14.3680 -14.3680 -11.4864 -11.4864 -7.6457 -7.6457 -7.6442 -7.6442 -7.5130 -7.5130 -7.1878 -7.1878 -7.0923 -7.0923 -7.0848 -7.0848 -6.2945 -6.2945 -6.2874 -6.2874 -5.7130 -5.7130 -5.6918 -5.6918 -5.6841 -5.6841 -3.6875 -3.6875 -3.6688 -3.6688 -3.6636 -3.6636 -1.5572 -1.5572 -1.5432 -1.5432 -0.7924 -0.7924 -0.7141 -0.7141 -0.7101 -0.7101 1.4840 1.4840 1.8326 1.8326 1.9981 1.9981 2.0068 2.0068 2.4336 2.4336 2.6599 2.6599 2.9477 2.9477 2.9643 2.9643 3.4129 3.4129 k = 0.5000 0.5000 0.4286 ( 6832 PWs) bands (ev): -23.9523 -23.9523 -23.7509 -23.7509 -23.7481 -23.7481 -23.7480 -23.7480 -18.4533 -18.4533 -16.8736 -16.8736 -16.8373 -16.8373 -16.8372 -16.8372 -14.3941 -14.3941 -11.4614 -11.4614 -7.6209 -7.6209 -7.6195 -7.6195 -7.5310 -7.5310 -7.1902 -7.1902 -7.1257 -7.1257 -7.1182 -7.1182 -6.2978 -6.2978 -6.2935 -6.2935 -5.7089 -5.7089 -5.6921 -5.6921 -5.6859 -5.6859 -3.6546 -3.6546 -3.6429 -3.6429 -3.6373 -3.6373 -1.5723 -1.5723 -1.5627 -1.5627 -0.7916 -0.7916 -0.7415 -0.7415 -0.7377 -0.7377 1.5716 1.5716 1.8333 1.8333 2.0263 2.0263 2.0348 2.0348 2.3465 2.3465 2.7172 2.7172 2.9258 2.9258 2.9426 2.9426 3.3378 3.3378 k = 0.5000 0.5000 0.4464 ( 6848 PWs) bands (ev): -23.9533 -23.9533 -23.7496 -23.7496 -23.7481 -23.7481 -23.7480 -23.7480 -18.4596 -18.4596 -16.8579 -16.8579 -16.8373 -16.8373 -16.8372 -16.8372 -14.4147 -14.4147 -11.4417 -11.4417 -7.5987 -7.5987 -7.5975 -7.5975 -7.5453 -7.5453 -7.1924 -7.1924 -7.1542 -7.1542 -7.1470 -7.1470 -6.3005 -6.3005 -6.2981 -6.2981 -5.7065 -5.7065 -5.6915 -5.6915 -5.6873 -5.6873 -3.6286 -3.6286 -3.6224 -3.6224 -3.6162 -3.6162 -1.5842 -1.5842 -1.5784 -1.5784 -0.7911 -0.7911 -0.7632 -0.7632 -0.7596 -0.7596 1.6569 1.6569 1.8338 1.8338 2.0492 2.0492 2.0576 2.0576 2.2616 2.2616 2.7738 2.7738 2.9078 2.9078 2.9245 2.9245 3.2670 3.2670 k = 0.5000 0.5000 0.4643 ( 6848 PWs) bands (ev): -23.9541 -23.9541 -23.7488 -23.7488 -23.7481 -23.7481 -23.7480 -23.7480 -18.4640 -18.4640 -16.8465 -16.8465 -16.8373 -16.8373 -16.8372 -16.8372 -14.4296 -14.4296 -11.4275 -11.4275 -7.5808 -7.5808 -7.5797 -7.5797 -7.5558 -7.5558 -7.1948 -7.1948 -7.1759 -7.1759 -7.1697 -7.1697 -6.3023 -6.3023 -6.3013 -6.3013 -5.7054 -5.7054 -5.6904 -5.6904 -5.6883 -5.6883 -3.6100 -3.6100 -3.6075 -3.6075 -3.6006 -3.6006 -1.5927 -1.5927 -1.5900 -1.5900 -0.7911 -0.7911 -0.7787 -0.7787 -0.7755 -0.7755 1.7373 1.7373 1.8342 1.8342 2.0662 2.0662 2.0745 2.0745 2.1817 2.1817 2.8265 2.8265 2.8952 2.8952 2.9110 2.9110 3.2034 3.2034 k = 0.5000 0.5000 0.4821 ( 6864 PWs) bands (ev): -23.9545 -23.9545 -23.7482 -23.7482 -23.7480 -23.7480 -23.7480 -23.7480 -18.4667 -18.4667 -16.8396 -16.8396 -16.8374 -16.8374 -16.8373 -16.8373 -14.4386 -14.4386 -11.4190 -11.4190 -7.5689 -7.5689 -7.5680 -7.5680 -7.5621 -7.5621 -7.1991 -7.1991 -7.1872 -7.1872 -7.1844 -7.1844 -6.3035 -6.3035 -6.3032 -6.3032 -5.7050 -5.7050 -5.6894 -5.6894 -5.6889 -5.6889 -3.5990 -3.5990 -3.5984 -3.5984 -3.5909 -3.5909 -1.5978 -1.5978 -1.5971 -1.5971 -0.7922 -0.7922 -0.7869 -0.7869 -0.7851 -0.7851 1.8044 1.8044 1.8345 1.8345 2.0762 2.0762 2.0849 2.0849 2.1153 2.1153 2.8645 2.8645 2.8923 2.8923 2.9026 2.9026 3.1537 3.1537 k = 0.5000 0.5000 0.5000 ( 6872 PWs) bands (ev): -23.9547 -23.9547 -23.7481 -23.7481 -23.7480 -23.7480 -23.7480 -23.7480 -18.4676 -18.4676 -16.8374 -16.8374 -16.8373 -16.8373 -16.8373 -16.8373 -14.4416 -14.4416 -11.4161 -11.4161 -7.5647 -7.5647 -7.5647 -7.5647 -7.5634 -7.5634 -7.2022 -7.2022 -7.1895 -7.1895 -7.1895 -7.1895 -6.3038 -6.3038 -6.3038 -6.3038 -5.7049 -5.7049 -5.6891 -5.6891 -5.6891 -5.6891 -3.5954 -3.5954 -3.5954 -3.5954 -3.5876 -3.5876 -1.5995 -1.5995 -1.5995 -1.5995 -0.7938 -0.7938 -0.7884 -0.7884 -0.7884 -0.7884 1.8345 1.8345 1.8345 1.8345 2.0765 2.0765 2.0884 2.0884 2.0884 2.0884 2.8726 2.8726 2.8998 2.8998 2.8998 2.8998 3.1332 3.1332 Writing output data file N2O.save init_run : 0.13s CPU 0.20s WALL ( 1 calls) electrons : 212.76s CPU 215.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 212.75s CPU 215.48s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.07s WALL ( 216 calls) cegterg : 196.66s CPU 198.84s WALL ( 322 calls) Called by sum_band: Called by *egterg: h_psi : 104.70s CPU 105.95s WALL ( 5470 calls) s_psi : 5.76s CPU 5.67s WALL ( 5470 calls) g_psi : 0.38s CPU 0.36s WALL ( 4932 calls) cdiaghg : 70.24s CPU 71.13s WALL ( 5148 calls) cegterg:over : 10.91s CPU 11.10s WALL ( 4932 calls) cegterg:upda : 9.76s CPU 9.79s WALL ( 4932 calls) cegterg:last : 4.57s CPU 4.62s WALL ( 754 calls) cdiaghg:chol : 4.17s CPU 4.16s WALL ( 5148 calls) cdiaghg:inve : 2.94s CPU 3.03s WALL ( 5148 calls) cdiaghg:para : 5.40s CPU 5.25s WALL ( 10296 calls) Called by h_psi: h_psi:vloc : 91.03s CPU 92.18s WALL ( 5470 calls) h_psi:vnl : 13.20s CPU 13.37s WALL ( 5470 calls) add_vuspsi : 5.82s CPU 5.82s WALL ( 5470 calls) General routines calbec : 7.36s CPU 7.54s WALL ( 5470 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.14s CPU 86.14s WALL ( 752376 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.31s WALL ( 432 calls) Parallel routines fft_scatter : 33.22s CPU 33.77s WALL ( 752399 calls) PWSCF : 3m52.34s CPU 4m 9.70s WALL This run was terminated on: 20:58:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=